REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2zut_1_C DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSXXXXXXXX VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWREAL DATA SEQUENCE EH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.593 174.600 -0.012 0.000 1.055 3 S CA 0.000 58.189 58.200 -0.019 0.000 1.107 3 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 4 T N 2.525 117.074 114.554 -0.008 0.000 2.864 4 T HA 0.915 5.689 4.350 0.708 0.000 0.289 4 T C 0.502 175.209 174.700 0.011 0.000 1.082 4 T CA 1.123 63.220 62.100 -0.005 0.000 1.009 4 T CB 0.888 69.748 68.868 -0.013 0.000 1.234 4 T HN 2.379 nan 8.240 nan 0.000 0.526 5 G N 1.559 110.374 108.800 0.025 0.000 2.512 5 G HA2 -0.067 4.318 3.960 0.708 0.000 0.210 5 G HA3 -0.067 4.318 3.960 0.708 0.000 0.210 5 G C -0.247 174.705 174.900 0.088 0.000 1.295 5 G CA 0.156 45.285 45.100 0.048 0.000 0.934 5 G HN 1.117 nan 8.290 nan 0.000 0.554 6 R N -1.978 118.560 120.500 0.064 0.000 3.741 6 R HA -0.215 4.550 4.340 0.708 0.000 0.292 6 R C -0.120 176.208 176.300 0.047 0.000 1.176 6 R CA 1.500 57.641 56.100 0.068 0.000 0.794 6 R CB -1.740 28.648 30.300 0.147 0.000 1.213 6 R HN 1.234 nan 8.270 nan 0.000 0.494 7 F N -0.530 119.360 119.950 -0.100 0.000 2.573 7 F HA 0.286 5.240 4.527 0.712 0.000 0.316 7 F C -0.419 175.330 175.800 -0.085 0.000 1.148 7 F CA -0.522 57.398 58.000 -0.133 0.000 0.940 7 F CB 1.873 40.811 39.000 -0.102 0.000 1.214 7 F HN -0.185 nan 8.300 nan 0.000 0.448 8 T N 7.195 121.532 114.554 -0.360 0.000 2.743 8 T HA 0.406 5.180 4.350 0.708 0.000 0.292 8 T C -0.782 173.802 174.700 -0.192 0.000 0.972 8 T CA -0.338 61.590 62.100 -0.287 0.000 0.967 8 T CB 1.036 69.645 68.868 -0.432 0.000 0.926 8 T HN 0.522 nan 8.240 nan 0.000 0.459 9 L N 7.048 128.342 121.223 0.119 0.000 2.292 9 L HA 0.532 5.297 4.340 0.708 0.000 0.284 9 L C -2.311 174.639 176.870 0.133 0.000 1.065 9 L CA -1.949 53.075 54.840 0.307 0.000 0.806 9 L CB 0.911 43.224 42.059 0.423 0.000 1.175 9 L HN 0.299 nan 8.230 nan 0.000 0.431 10 P HA 0.210 nan 4.420 nan 0.000 0.279 10 P C -1.310 176.075 177.300 0.141 0.000 1.239 10 P CA -0.399 62.747 63.100 0.077 0.000 0.789 10 P CB 1.340 33.035 31.700 -0.008 0.000 0.933 11 S N 1.570 117.333 115.700 0.104 0.000 2.718 11 S HA 0.731 5.626 4.470 0.708 0.000 0.300 11 S C -0.463 174.213 174.600 0.128 0.000 1.117 11 S CA -0.549 57.731 58.200 0.134 0.000 1.002 11 S CB 1.499 64.765 63.200 0.109 0.000 1.092 11 S HN 0.633 nan 8.310 nan 0.000 0.542 12 E N -0.478 119.816 120.200 0.157 0.000 2.390 12 E HA 0.286 5.061 4.350 0.708 0.000 0.280 12 E C -1.471 175.217 176.600 0.147 0.000 0.992 12 E CA -1.011 55.468 56.400 0.132 0.000 0.790 12 E CB 0.602 30.358 29.700 0.094 0.000 1.248 12 E HN 0.519 nan 8.360 nan 0.000 0.447 13 E N 2.229 122.498 120.200 0.115 0.000 2.900 13 E HA -0.142 4.633 4.350 0.708 0.000 0.259 13 E C -0.278 176.400 176.600 0.130 0.000 0.918 13 E CA 0.880 57.341 56.400 0.102 0.000 0.960 13 E CB -0.188 29.556 29.700 0.073 0.000 0.908 13 E HN 0.608 nan 8.360 nan 0.000 0.511 14 N N 2.284 121.062 118.700 0.129 0.000 2.738 14 N HA -0.259 4.906 4.740 0.708 0.000 0.249 14 N C -0.338 175.321 175.510 0.249 0.000 1.047 14 N CA 0.695 53.827 53.050 0.137 0.000 0.707 14 N CB -1.141 37.405 38.487 0.098 0.000 0.937 14 N HN 0.430 nan 8.380 nan 0.000 0.545 15 F N -0.761 119.197 119.950 0.015 0.000 2.790 15 F HA 0.470 5.422 4.527 0.708 0.000 0.347 15 F C 1.409 177.209 175.800 -0.000 0.000 1.252 15 F CA 0.088 58.093 58.000 0.009 0.000 1.109 15 F CB 0.020 39.035 39.000 0.025 0.000 1.205 15 F HN 0.136 nan 8.300 nan 0.000 0.510 16 A N -0.068 122.744 122.820 -0.013 0.000 1.892 16 A HA -0.159 4.585 4.320 0.708 0.000 0.218 16 A C 2.212 179.708 177.584 -0.148 0.000 1.188 16 A CA 2.103 54.110 52.037 -0.050 0.000 0.631 16 A CB -0.301 18.684 19.000 -0.025 0.000 0.822 16 A HN 0.324 nan 8.150 nan 0.000 0.447 17 E N -0.092 119.984 120.200 -0.208 0.000 2.031 17 E HA -0.141 4.634 4.350 0.708 0.000 0.193 17 E C 2.058 178.464 176.600 -0.325 0.000 0.994 17 E CA 1.003 57.267 56.400 -0.227 0.000 0.800 17 E CB -0.331 29.253 29.700 -0.194 0.000 0.752 17 E HN 0.366 nan 8.360 nan 0.000 0.447 18 K N 0.335 120.390 120.400 -0.575 0.000 2.057 18 K HA -0.054 4.691 4.320 0.708 0.000 0.207 18 K C 2.217 178.560 176.600 -0.429 0.000 1.049 18 K CA 1.135 57.022 56.287 -0.666 0.000 0.931 18 K CB -0.768 30.912 32.500 -1.367 0.000 0.714 18 K HN 0.134 nan 8.250 nan 0.000 0.440 19 T N 1.299 115.655 114.554 -0.331 0.000 2.665 19 T HA -0.194 4.581 4.350 0.708 0.000 0.268 19 T C 1.902 176.536 174.700 -0.110 0.000 1.035 19 T CA 1.897 63.951 62.100 -0.076 0.000 1.151 19 T CB -0.091 68.803 68.868 0.044 0.000 0.862 19 T HN 0.345 nan 8.240 nan 0.000 0.438 20 K N 0.864 121.184 120.400 -0.133 0.000 2.097 20 K HA -0.137 4.608 4.320 0.708 0.000 0.206 20 K C 2.343 178.852 176.600 -0.153 0.000 1.049 20 K CA 1.508 57.726 56.287 -0.114 0.000 0.933 20 K CB -0.082 32.357 32.500 -0.102 0.000 0.717 20 K HN 0.425 nan 8.250 nan 0.000 0.442 21 E N 0.559 120.638 120.200 -0.202 0.000 2.047 21 E HA -0.160 4.614 4.350 0.708 0.000 0.191 21 E C 2.066 178.478 176.600 -0.313 0.000 0.987 21 E CA 0.996 57.260 56.400 -0.228 0.000 0.799 21 E CB -0.000 29.558 29.700 -0.236 0.000 0.752 21 E HN 0.341 nan 8.360 nan 0.000 0.449 22 L N 0.305 121.290 121.223 -0.397 0.000 2.141 22 L HA -0.082 4.683 4.340 0.708 0.000 0.209 22 L C 2.610 179.168 176.870 -0.521 0.000 1.094 22 L CA 0.783 55.199 54.840 -0.706 0.000 0.763 22 L CB -0.371 41.184 42.059 -0.839 0.000 0.908 22 L HN 0.181 nan 8.230 nan 0.000 0.437 23 A N -0.104 122.581 122.820 -0.226 0.000 1.933 23 A HA -0.171 4.573 4.320 0.708 0.000 0.218 23 A C 2.235 179.752 177.584 -0.111 0.000 1.175 23 A CA 1.353 53.339 52.037 -0.084 0.000 0.628 23 A CB -0.250 18.736 19.000 -0.023 0.000 0.814 23 A HN 0.391 nan 8.150 nan 0.000 0.444 24 E N -0.626 119.486 120.200 -0.147 0.000 2.046 24 E HA -0.136 4.638 4.350 0.708 0.000 0.190 24 E C 1.948 178.466 176.600 -0.137 0.000 0.982 24 E CA 0.937 57.263 56.400 -0.122 0.000 0.800 24 E CB -0.405 29.225 29.700 -0.118 0.000 0.756 24 E HN 0.461 nan 8.360 nan 0.000 0.449 25 L N 0.108 121.200 121.223 -0.219 0.000 2.046 25 L HA -0.127 4.637 4.340 0.708 0.000 0.208 25 L C 1.697 178.529 176.870 -0.063 0.000 1.077 25 L CA 1.479 56.200 54.840 -0.200 0.000 0.747 25 L CB -0.452 41.383 42.059 -0.374 0.000 0.896 25 L HN 0.219 nan 8.230 nan 0.000 0.432 26 W N -0.247 120.879 121.300 -0.291 0.000 3.197 26 W HA 0.431 5.517 4.660 0.711 0.000 0.274 26 W C 1.489 177.674 176.519 -0.557 0.000 1.297 26 W CA 0.207 57.229 57.345 -0.539 0.000 1.662 26 W CB -1.203 27.749 29.460 -0.847 0.000 1.106 26 W HN 0.337 nan 8.180 nan 0.000 0.663 27 G N 1.500 110.225 108.800 -0.124 0.000 2.338 27 G HA2 -0.072 4.313 3.960 0.708 0.000 0.296 27 G HA3 -0.072 4.313 3.960 0.708 0.000 0.296 27 G C 0.500 175.361 174.900 -0.066 0.000 1.040 27 G CA 0.082 45.127 45.100 -0.092 0.000 1.004 27 G HN 0.432 nan 8.290 nan 0.000 0.509 28 A N 0.069 122.870 122.820 -0.031 0.000 2.477 28 A HA 0.541 5.286 4.320 0.708 0.000 0.246 28 A C 1.233 178.882 177.584 0.108 0.000 1.078 28 A CA 0.668 52.804 52.037 0.163 0.000 0.770 28 A CB 0.393 19.568 19.000 0.291 0.000 1.011 28 A HN 0.793 nan 8.150 nan 0.000 0.494 29 D N 0.386 120.857 120.400 0.119 0.000 2.433 29 D HA 0.417 5.482 4.640 0.708 0.000 0.211 29 D C 0.154 176.486 176.300 0.053 0.000 1.114 29 D CA 0.722 54.761 54.000 0.064 0.000 0.837 29 D CB 0.207 41.035 40.800 0.045 0.000 0.984 29 D HN 0.624 nan 8.370 nan 0.000 0.505 30 A N 0.316 123.156 122.820 0.034 0.000 2.515 30 A HA 0.702 5.447 4.320 0.708 0.000 0.298 30 A C -1.228 176.292 177.584 -0.107 0.000 1.059 30 A CA -0.793 51.204 52.037 -0.067 0.000 0.698 30 A CB 1.434 20.293 19.000 -0.235 0.000 1.289 30 A HN 0.136 nan 8.150 nan 0.000 0.404 31 I N 1.304 121.809 120.570 -0.109 0.000 2.465 31 I HA 0.464 5.059 4.170 0.708 0.000 0.291 31 I C 0.147 176.199 176.117 -0.108 0.000 1.014 31 I CA -0.573 60.689 61.300 -0.063 0.000 1.093 31 I CB 2.020 40.037 38.000 0.028 0.000 1.267 31 I HN 0.809 nan 8.210 nan 0.000 0.431 32 R N 5.407 125.841 120.500 -0.110 0.000 2.229 32 R HA 0.240 5.005 4.340 0.708 0.000 0.328 32 R C -0.174 176.159 176.300 0.056 0.000 1.009 32 R CA -0.414 55.673 56.100 -0.021 0.000 0.864 32 R CB 0.768 31.045 30.300 -0.037 0.000 1.085 32 R HN 0.688 nan 8.270 nan 0.000 0.453 33 N N 2.579 121.339 118.700 0.101 0.000 2.434 33 N HA -0.030 5.135 4.740 0.708 0.000 0.268 33 N C -0.653 174.919 175.510 0.103 0.000 1.256 33 N CA 0.065 53.179 53.050 0.106 0.000 0.914 33 N CB 0.661 39.224 38.487 0.127 0.000 1.088 33 N HN 0.522 nan 8.380 nan 0.000 0.478 44 L N 2.072 123.307 121.223 0.020 0.000 2.265 44 L HA 0.182 4.947 4.340 0.708 0.000 0.215 44 L C 2.332 179.208 176.870 0.010 0.000 1.117 44 L CA 2.552 57.403 54.840 0.017 0.000 0.782 44 L CB -0.408 41.659 42.059 0.013 0.000 0.914 44 L HN 0.588 nan 8.230 nan 0.000 0.441 45 A N -1.084 121.738 122.820 0.004 0.000 2.119 45 A HA -0.065 4.680 4.320 0.708 0.000 0.217 45 A C 2.038 179.620 177.584 -0.003 0.000 1.153 45 A CA 0.914 52.950 52.037 -0.002 0.000 0.692 45 A CB -0.654 18.342 19.000 -0.006 0.000 0.799 45 A HN 0.456 nan 8.150 nan 0.000 0.458 46 L N -1.035 120.188 121.223 -0.000 0.000 2.551 46 L HA 0.070 4.835 4.340 0.708 0.000 0.228 46 L C 1.752 178.624 176.870 0.003 0.000 1.153 46 L CA 0.539 55.378 54.840 -0.003 0.000 0.851 46 L CB -0.552 41.506 42.059 -0.001 0.000 0.959 46 L HN 0.546 nan 8.230 nan 0.000 0.451 47 G N 0.179 108.984 108.800 0.008 0.000 2.179 47 G HA2 -0.251 4.134 3.960 0.708 0.000 0.257 47 G HA3 -0.251 4.134 3.960 0.708 0.000 0.257 47 G C 0.261 175.173 174.900 0.020 0.000 1.010 47 G CA 0.102 45.209 45.100 0.011 0.000 0.736 47 G HN 0.201 nan 8.290 nan 0.000 0.513 48 K N -0.105 120.312 120.400 0.027 0.000 2.090 48 K HA 0.382 5.126 4.320 0.708 0.000 0.250 48 K C 0.637 177.271 176.600 0.057 0.000 1.004 48 K CA -0.863 55.447 56.287 0.038 0.000 0.919 48 K CB 0.767 33.289 32.500 0.038 0.000 1.045 48 K HN 0.254 nan 8.250 nan 0.000 0.471 49 K N 1.920 122.367 120.400 0.078 0.000 2.402 49 K HA 0.071 4.816 4.320 0.708 0.000 0.285 49 K C -0.278 176.430 176.600 0.181 0.000 1.054 49 K CA -0.149 56.220 56.287 0.137 0.000 1.001 49 K CB 0.238 32.847 32.500 0.182 0.000 0.946 49 K HN 0.306 nan 8.250 nan 0.000 0.473 50 I N 5.919 126.603 120.570 0.189 0.000 2.315 50 I HA 0.119 4.713 4.170 0.708 0.000 0.291 50 I C -0.272 176.058 176.117 0.355 0.000 1.006 50 I CA -0.570 60.851 61.300 0.201 0.000 1.265 50 I CB 0.333 38.402 38.000 0.116 0.000 1.387 50 I HN 0.436 nan 8.210 nan 0.000 0.475 51 Y N 4.770 125.109 120.300 0.065 0.000 2.323 51 Y HA 0.413 5.386 4.550 0.706 0.000 0.331 51 Y C 0.632 176.574 175.900 0.069 0.000 1.092 51 Y CA -1.082 57.056 58.100 0.063 0.000 1.150 51 Y CB 0.934 39.423 38.460 0.048 0.000 1.200 51 Y HN 0.451 nan 8.280 nan 0.000 0.472 52 N N 1.143 119.977 118.700 0.223 0.000 2.296 52 N HA 0.575 5.740 4.740 0.708 0.000 0.294 52 N C -0.957 174.583 175.510 0.051 0.000 1.033 52 N CA -0.517 52.655 53.050 0.204 0.000 0.839 52 N CB 2.331 41.036 38.487 0.363 0.000 1.395 52 N HN 0.733 nan 8.380 nan 0.000 0.479 53 A N 2.160 124.938 122.820 -0.071 0.000 2.371 53 A HA 0.355 5.100 4.320 0.708 0.000 0.257 53 A C -1.054 176.088 177.584 -0.737 0.000 1.089 53 A CA 0.121 51.917 52.037 -0.402 0.000 0.794 53 A CB 0.195 18.954 19.000 -0.401 0.000 1.029 53 A HN 0.664 nan 8.150 nan 0.000 0.488 54 Y N 0.533 120.168 120.300 -1.109 0.000 2.425 54 Y HA 0.595 5.569 4.550 0.706 0.000 0.344 54 Y C -1.353 173.929 175.900 -1.030 0.000 0.969 54 Y CA -1.019 56.401 58.100 -1.135 0.000 1.052 54 Y CB 1.827 39.634 38.460 -1.087 0.000 1.215 54 Y HN 0.533 nan 8.280 nan 0.000 0.451 55 F N 6.874 126.439 119.950 -0.641 0.000 2.453 55 F HA 0.399 5.349 4.527 0.704 0.000 0.358 55 F C -2.046 173.577 175.800 -0.293 0.000 1.129 55 F CA -2.451 55.340 58.000 -0.348 0.000 1.200 55 F CB 0.874 39.706 39.000 -0.280 0.000 1.431 55 F HN 0.384 nan 8.300 nan 0.000 0.503 56 P HA -0.140 nan 4.420 nan 0.000 0.219 56 P C 1.380 178.758 177.300 0.130 0.000 1.146 56 P CA 1.541 64.738 63.100 0.160 0.000 0.808 56 P CB 0.062 31.848 31.700 0.144 0.000 0.779 57 T N -4.020 110.484 114.554 -0.084 0.000 3.134 57 T HA 0.291 5.065 4.350 0.708 0.000 0.260 57 T C 0.558 174.616 174.700 -1.070 0.000 1.027 57 T CA -0.553 61.253 62.100 -0.491 0.000 0.913 57 T CB -0.249 68.467 68.868 -0.254 0.000 1.046 57 T HN 0.223 nan 8.240 nan 0.000 0.553 58 R N -1.043 119.131 120.500 -0.543 0.000 3.015 58 R HA 0.743 5.507 4.340 0.708 0.000 0.258 58 R C -0.133 176.245 176.300 0.130 0.000 1.172 58 R CA -0.625 55.294 56.100 -0.301 0.000 1.003 58 R CB -0.005 30.195 30.300 -0.166 0.000 1.326 58 R HN 0.378 nan 8.270 nan 0.000 0.449 59 A N -0.302 122.567 122.820 0.083 0.000 2.945 59 A HA -0.139 4.605 4.320 0.708 0.000 0.251 59 A C -0.532 176.880 177.584 -0.286 0.000 1.355 59 A CA 1.271 53.263 52.037 -0.075 0.000 0.905 59 A CB -2.452 16.461 19.000 -0.145 0.000 1.104 59 A HN 0.729 nan 8.150 nan 0.000 0.733 60 H N -0.927 118.421 119.070 0.463 0.000 2.695 60 H HA 0.175 5.156 4.556 0.707 0.000 0.222 60 H C 0.801 176.311 175.328 0.303 0.000 1.412 60 H CA -0.235 56.058 56.048 0.409 0.000 1.347 60 H CB -0.003 30.060 29.762 0.502 0.000 1.858 60 H HN 0.382 nan 8.280 nan 0.000 0.519 61 N N 1.170 120.031 118.700 0.269 0.000 2.192 61 N HA -0.171 4.994 4.740 0.708 0.000 0.188 61 N C 2.081 177.647 175.510 0.094 0.000 1.013 61 N CA 1.107 54.254 53.050 0.162 0.000 0.863 61 N CB 0.238 38.775 38.487 0.083 0.000 0.990 61 N HN 0.643 nan 8.380 nan 0.000 0.430 62 E N 0.059 120.337 120.200 0.131 0.000 2.265 62 E HA -0.207 4.568 4.350 0.708 0.000 0.196 62 E C 1.740 178.364 176.600 0.040 0.000 0.996 62 E CA 0.714 57.169 56.400 0.091 0.000 0.832 62 E CB -0.667 29.124 29.700 0.152 0.000 0.756 62 E HN 0.640 nan 8.360 nan 0.000 0.491 63 W N 0.988 122.152 121.300 -0.227 0.000 2.501 63 W HA -0.024 5.060 4.660 0.707 0.000 0.309 63 W C 1.931 178.272 176.519 -0.297 0.000 1.165 63 W CA 0.617 57.642 57.345 -0.533 0.000 1.381 63 W CB -0.333 28.194 29.460 -1.555 0.000 1.142 63 W HN 0.082 nan 8.180 nan 0.000 0.509 64 I N 2.550 122.899 120.570 -0.368 0.000 2.439 64 I HA -0.221 4.374 4.170 0.708 0.000 0.251 64 I C 2.592 178.544 176.117 -0.275 0.000 1.139 64 I CA 2.513 63.612 61.300 -0.334 0.000 1.438 64 I CB -0.808 37.291 38.000 0.165 0.000 1.085 64 I HN 0.075 nan 8.210 nan 0.000 0.427 65 T N -1.371 113.067 114.554 -0.193 0.000 2.946 65 T HA -0.172 4.602 4.350 0.708 0.000 0.271 65 T C 1.718 176.244 174.700 -0.291 0.000 1.104 65 T CA 1.483 63.467 62.100 -0.194 0.000 1.114 65 T CB -0.741 68.047 68.868 -0.132 0.000 0.867 65 T HN 0.417 nan 8.240 nan 0.000 0.513 66 L N -0.198 120.769 121.223 -0.428 0.000 2.567 66 L HA 0.235 4.999 4.340 0.708 0.000 0.225 66 L C 0.962 177.254 176.870 -0.964 0.000 1.119 66 L CA 0.394 54.859 54.840 -0.625 0.000 0.871 66 L CB -0.105 41.551 42.059 -0.672 0.000 1.036 66 L HN 0.426 nan 8.230 nan 0.000 0.459 67 H N -0.474 118.246 119.070 -0.584 0.000 2.716 67 H HA 0.226 5.207 4.556 0.708 0.000 0.230 67 H C 0.935 176.045 175.328 -0.364 0.000 1.401 67 H CA -0.292 55.454 56.048 -0.504 0.000 1.168 67 H CB 0.880 30.223 29.762 -0.700 0.000 1.935 67 H HN 0.101 nan 8.280 nan 0.000 0.538 68 M N 0.891 120.326 119.600 -0.274 0.000 2.446 68 M HA -0.095 4.809 4.480 0.708 0.000 0.263 68 M C 1.245 177.284 176.300 -0.436 0.000 1.066 68 M CA 1.045 56.161 55.300 -0.307 0.000 1.087 68 M CB -0.553 31.854 32.600 -0.323 0.000 1.406 68 M HN 0.394 nan 8.290 nan 0.000 0.459 69 D N -0.320 119.887 120.400 -0.321 0.000 2.363 69 D HA -0.111 4.954 4.640 0.708 0.000 0.226 69 D C 0.812 177.033 176.300 -0.131 0.000 1.020 69 D CA 0.538 54.411 54.000 -0.212 0.000 0.892 69 D CB -0.473 40.297 40.800 -0.050 0.000 0.900 69 D HN 0.430 nan 8.370 nan 0.000 0.531 70 E N 0.325 120.441 120.200 -0.140 0.000 2.476 70 E HA 0.036 4.811 4.350 0.708 0.000 0.196 70 E C 0.374 177.124 176.600 0.250 0.000 1.029 70 E CA -0.075 56.289 56.400 -0.061 0.000 0.896 70 E CB 0.428 30.145 29.700 0.028 0.000 1.012 70 E HN 0.373 nan 8.360 nan 0.000 0.475 71 T N 0.472 115.138 114.554 0.187 0.000 2.856 71 T HA 0.158 4.933 4.350 0.708 0.000 0.306 71 T C -2.234 172.671 174.700 0.343 0.000 1.062 71 T CA -1.579 60.680 62.100 0.265 0.000 1.083 71 T CB 0.820 69.792 68.868 0.173 0.000 0.984 71 T HN -0.189 nan 8.240 nan 0.000 0.542 72 P HA 0.260 nan 4.420 nan 0.000 0.272 72 P C -0.707 176.703 177.300 0.185 0.000 1.240 72 P CA -0.394 62.866 63.100 0.266 0.000 0.791 72 P CB 0.525 32.368 31.700 0.237 0.000 0.978 73 Q N -0.737 119.108 119.800 0.075 0.000 2.544 73 Q HA 0.737 5.502 4.340 0.708 0.000 0.291 73 Q C -1.490 174.385 176.000 -0.208 0.000 1.068 73 Q CA -1.101 54.648 55.803 -0.090 0.000 0.785 73 Q CB 2.802 31.419 28.738 -0.202 0.000 1.481 73 Q HN 0.239 nan 8.270 nan 0.000 0.430 74 V N 0.616 120.329 119.914 -0.334 0.000 2.969 74 V HA 0.412 4.957 4.120 0.708 0.000 0.304 74 V C -1.984 173.804 176.094 -0.511 0.000 1.192 74 V CA -0.503 61.584 62.300 -0.356 0.000 0.962 74 V CB 1.680 33.374 31.823 -0.214 0.000 1.045 74 V HN 0.760 nan 8.190 nan 0.000 0.428 75 Y N 6.056 126.105 120.300 -0.419 0.000 2.402 75 Y HA 0.509 5.483 4.550 0.706 0.000 0.333 75 Y C 0.420 176.083 175.900 -0.395 0.000 1.076 75 Y CA 0.106 57.938 58.100 -0.446 0.000 1.299 75 Y CB 1.010 39.261 38.460 -0.349 0.000 1.197 75 Y HN 0.477 nan 8.280 nan 0.000 0.517 76 L N 5.018 125.895 121.223 -0.575 0.000 2.334 76 L HA 0.470 5.235 4.340 0.708 0.000 0.273 76 L C -1.055 175.590 176.870 -0.376 0.000 1.013 76 L CA -1.192 53.296 54.840 -0.587 0.000 0.816 76 L CB 1.707 42.929 42.059 -1.395 0.000 1.278 76 L HN 0.427 nan 8.230 nan 0.000 0.431 77 L N 2.121 123.410 121.223 0.110 0.000 2.313 77 L HA 0.472 5.237 4.340 0.708 0.000 0.283 77 L C 0.501 177.576 176.870 0.342 0.000 1.013 77 L CA 0.035 54.950 54.840 0.125 0.000 0.816 77 L CB 1.705 43.758 42.059 -0.010 0.000 1.236 77 L HN 0.759 nan 8.230 nan 0.000 0.419 78 T N 0.594 115.329 114.554 0.301 0.000 2.726 78 T HA 0.243 5.018 4.350 0.708 0.000 0.294 78 T C 0.219 174.996 174.700 0.128 0.000 1.013 78 T CA -0.723 61.554 62.100 0.294 0.000 0.996 78 T CB 0.297 69.296 68.868 0.218 0.000 1.016 78 T HN 0.554 nan 8.240 nan 0.000 0.529 79 D N 0.547 120.983 120.400 0.059 0.000 2.364 79 D HA 0.128 5.193 4.640 0.708 0.000 0.236 79 D C 0.427 176.754 176.300 0.044 0.000 1.221 79 D CA 0.161 54.176 54.000 0.025 0.000 0.891 79 D CB 0.332 41.133 40.800 0.001 0.000 1.190 79 D HN 0.453 nan 8.370 nan 0.000 0.449 80 R N 0.942 121.462 120.500 0.035 0.000 2.316 80 R HA 0.255 5.020 4.340 0.708 0.000 0.314 80 R C -0.277 176.058 176.300 0.059 0.000 1.069 80 R CA -0.350 55.775 56.100 0.043 0.000 0.959 80 R CB 0.579 30.894 30.300 0.025 0.000 0.987 80 R HN 0.259 nan 8.270 nan 0.000 0.446 81 I N 4.745 125.369 120.570 0.090 0.000 2.354 81 I HA 0.150 4.745 4.170 0.708 0.000 0.292 81 I C -0.161 176.041 176.117 0.142 0.000 0.989 81 I CA -1.127 60.232 61.300 0.097 0.000 1.188 81 I CB 1.221 39.270 38.000 0.083 0.000 1.342 81 I HN 0.454 nan 8.210 nan 0.000 0.457 82 L N 6.627 127.920 121.223 0.118 0.000 2.369 82 L HA 0.492 5.256 4.340 0.708 0.000 0.279 82 L C 0.544 177.467 176.870 0.089 0.000 1.108 82 L CA 0.127 55.051 54.840 0.139 0.000 0.852 82 L CB 0.595 42.744 42.059 0.150 0.000 1.169 82 L HN 0.731 nan 8.230 nan 0.000 0.452 83 A N 4.610 127.504 122.820 0.124 0.000 2.401 83 A HA 0.359 5.104 4.320 0.708 0.000 0.259 83 A C 0.608 177.991 177.584 -0.334 0.000 1.103 83 A CA -0.245 51.763 52.037 -0.047 0.000 0.789 83 A CB 0.142 19.152 19.000 0.017 0.000 1.035 83 A HN 0.886 nan 8.150 nan 0.000 0.491 84 E N 0.708 120.638 120.200 -0.450 0.000 2.562 84 E HA 0.140 4.915 4.350 0.708 0.000 0.214 84 E C 0.111 176.301 176.600 -0.685 0.000 0.979 84 E CA 0.566 56.437 56.400 -0.882 0.000 1.002 84 E CB 0.361 29.739 29.700 -0.537 0.000 1.048 84 E HN 0.782 nan 8.360 nan 0.000 0.488 85 S N 0.169 115.612 115.700 -0.427 0.000 2.800 85 S HA 0.079 4.974 4.470 0.708 0.000 0.293 85 S C -0.150 174.319 174.600 -0.218 0.000 1.209 85 S CA -0.583 57.455 58.200 -0.271 0.000 0.884 85 S CB 0.740 63.842 63.200 -0.163 0.000 1.244 85 S HN 0.005 nan 8.310 nan 0.000 0.540 86 D N 1.044 121.357 120.400 -0.146 0.000 2.336 86 D HA 0.151 5.216 4.640 0.708 0.000 0.229 86 D C 0.684 176.906 176.300 -0.129 0.000 1.061 86 D CA 0.594 54.519 54.000 -0.126 0.000 0.875 86 D CB -0.683 40.069 40.800 -0.080 0.000 0.904 86 D HN 0.735 nan 8.370 nan 0.000 0.525 87 T N -3.436 111.037 114.554 -0.135 0.000 2.906 87 T HA 0.657 5.431 4.350 0.708 0.000 0.295 87 T C -0.699 173.916 174.700 -0.141 0.000 1.061 87 T CA -0.999 61.030 62.100 -0.119 0.000 1.000 87 T CB 2.335 71.165 68.868 -0.064 0.000 1.103 87 T HN -0.013 nan 8.240 nan 0.000 0.486 88 V N 0.756 120.591 119.914 -0.131 0.000 3.000 88 V HA 0.504 5.048 4.120 0.708 0.000 0.300 88 V C -2.024 174.046 176.094 -0.040 0.000 1.251 88 V CA -0.758 61.477 62.300 -0.107 0.000 0.972 88 V CB 2.370 34.082 31.823 -0.186 0.000 1.065 88 V HN 1.090 nan 8.190 nan 0.000 0.431 89 D N 5.311 125.712 120.400 0.000 0.000 2.217 89 D HA 0.585 5.649 4.640 0.708 0.000 0.243 89 D C -0.515 175.768 176.300 -0.030 0.000 1.054 89 D CA 0.212 54.215 54.000 0.005 0.000 0.838 89 D CB 2.060 42.898 40.800 0.064 0.000 1.162 89 D HN 0.502 nan 8.370 nan 0.000 0.472 90 I N 3.574 124.102 120.570 -0.071 0.000 2.382 90 I HA 0.236 4.830 4.170 0.708 0.000 0.285 90 I C -2.358 173.713 176.117 -0.076 0.000 1.007 90 I CA -2.141 59.128 61.300 -0.051 0.000 1.142 90 I CB 1.900 39.872 38.000 -0.047 0.000 1.289 90 I HN -0.057 nan 8.210 nan 0.000 0.453 91 P HA 0.172 nan 4.420 nan 0.000 0.271 91 P C 0.564 177.837 177.300 -0.045 0.000 1.216 91 P CA -0.147 62.927 63.100 -0.043 0.000 0.771 91 P CB 0.953 32.653 31.700 -0.001 0.000 0.864 92 L N 1.721 122.864 121.223 -0.133 0.000 2.162 92 L HA 0.032 4.797 4.340 0.708 0.000 0.205 92 L C 1.752 178.675 176.870 0.088 0.000 1.086 92 L CA 1.315 55.990 54.840 -0.274 0.000 0.778 92 L CB -0.381 41.164 42.059 -0.857 0.000 0.928 92 L HN 0.376 nan 8.230 nan 0.000 0.446 93 M N -1.175 118.489 119.600 0.108 0.000 2.313 93 M HA 0.072 4.976 4.480 0.708 0.000 0.273 93 M C 1.639 178.083 176.300 0.239 0.000 1.049 93 M CA 0.468 55.935 55.300 0.278 0.000 1.004 93 M CB 0.173 32.875 32.600 0.170 0.000 1.461 93 M HN 0.156 nan 8.290 nan 0.000 0.514 94 E N 0.485 120.763 120.200 0.130 0.000 2.267 94 E HA -0.132 4.643 4.350 0.708 0.000 0.197 94 E C 1.451 178.065 176.600 0.022 0.000 0.998 94 E CA 1.566 58.008 56.400 0.071 0.000 0.830 94 E CB 0.143 29.866 29.700 0.037 0.000 0.751 94 E HN 0.446 nan 8.360 nan 0.000 0.491 95 S N -0.707 114.950 115.700 -0.072 0.000 2.554 95 S HA 0.161 5.056 4.470 0.708 0.000 0.226 95 S C 0.096 174.422 174.600 -0.456 0.000 0.980 95 S CA -0.575 57.449 58.200 -0.294 0.000 0.939 95 S CB 0.154 63.083 63.200 -0.452 0.000 0.832 95 S HN -0.054 nan 8.310 nan 0.000 0.486 96 F N 0.947 120.988 119.950 0.152 0.000 2.556 96 F HA 0.582 5.532 4.527 0.705 0.000 0.327 96 F C -0.244 175.726 175.800 0.284 0.000 1.059 96 F CA -1.950 56.168 58.000 0.196 0.000 0.953 96 F CB 0.735 39.851 39.000 0.193 0.000 1.227 96 F HN 0.042 nan 8.300 nan 0.000 0.478 97 F N 2.166 122.323 119.950 0.345 0.000 2.462 97 F HA 0.428 5.378 4.527 0.706 0.000 0.360 97 F C 0.937 176.882 175.800 0.241 0.000 1.134 97 F CA -1.515 56.640 58.000 0.257 0.000 1.148 97 F CB 0.472 39.631 39.000 0.264 0.000 1.147 97 F HN 0.555 nan 8.300 nan 0.000 0.550 98 A N 4.829 127.795 122.820 0.243 0.000 2.168 98 A HA -0.052 4.693 4.320 0.708 0.000 0.215 98 A C 1.874 179.377 177.584 -0.135 0.000 1.152 98 A CA 0.913 52.992 52.037 0.071 0.000 0.716 98 A CB -0.420 18.649 19.000 0.115 0.000 0.794 98 A HN 0.695 nan 8.150 nan 0.000 0.465 99 E N -0.605 119.277 120.200 -0.531 0.000 2.358 99 E HA -0.142 4.633 4.350 0.708 0.000 0.195 99 E C 1.823 178.265 176.600 -0.264 0.000 1.010 99 E CA 0.920 57.013 56.400 -0.513 0.000 0.856 99 E CB -0.031 29.224 29.700 -0.742 0.000 0.795 99 E HN 0.885 nan 8.360 nan 0.000 0.504 100 Q N -0.235 119.376 119.800 -0.315 0.000 2.394 100 Q HA 0.138 4.903 4.340 0.708 0.000 0.218 100 Q C -0.017 176.008 176.000 0.042 0.000 0.907 100 Q CA 0.222 56.019 55.803 -0.011 0.000 0.919 100 Q CB 0.687 29.441 28.738 0.027 0.000 1.051 100 Q HN 0.083 nan 8.270 nan 0.000 0.538 101 L N 1.132 122.376 121.223 0.036 0.000 2.431 101 L HA 0.538 5.303 4.340 0.708 0.000 0.266 101 L C -1.043 175.877 176.870 0.083 0.000 0.978 101 L CA -0.704 54.165 54.840 0.048 0.000 0.822 101 L CB 2.339 44.396 42.059 -0.002 0.000 1.310 101 L HN -0.170 nan 8.230 nan 0.000 0.409 102 K N 3.420 123.889 120.400 0.115 0.000 2.482 102 K HA 0.574 5.319 4.320 0.708 0.000 0.251 102 K C -2.762 173.952 176.600 0.189 0.000 0.936 102 K CA -1.711 54.668 56.287 0.152 0.000 0.791 102 K CB 2.596 35.197 32.500 0.168 0.000 1.213 102 K HN 0.107 nan 8.250 nan 0.000 0.428 103 P HA -0.034 nan 4.420 nan 0.000 0.266 103 P C -1.159 176.270 177.300 0.216 0.000 1.195 103 P CA -0.197 63.020 63.100 0.195 0.000 0.768 103 P CB 0.417 32.125 31.700 0.013 0.000 0.838 104 N N 2.838 121.625 118.700 0.145 0.000 2.415 104 N HA 0.075 5.240 4.740 0.708 0.000 0.246 104 N C 0.493 176.149 175.510 0.243 0.000 1.078 104 N CA 0.055 53.081 53.050 -0.040 0.000 0.942 104 N CB 0.022 38.160 38.487 -0.582 0.000 1.140 104 N HN 0.210 nan 8.380 nan 0.000 0.501 105 R N 1.907 122.541 120.500 0.223 0.000 2.312 105 R HA 0.117 4.882 4.340 0.708 0.000 0.205 105 R C 0.212 176.564 176.300 0.087 0.000 0.904 105 R CA 0.064 56.250 56.100 0.144 0.000 1.052 105 R CB 0.560 30.937 30.300 0.128 0.000 1.014 105 R HN 0.555 nan 8.270 nan 0.000 0.503 106 D N 1.193 121.667 120.400 0.123 0.000 2.162 106 D HA -0.025 5.040 4.640 0.708 0.000 0.203 106 D C 0.451 176.781 176.300 0.051 0.000 0.967 106 D CA 0.722 54.781 54.000 0.097 0.000 0.840 106 D CB 0.202 41.101 40.800 0.164 0.000 0.972 106 D HN 0.110 nan 8.370 nan 0.000 0.482 107 A N 1.429 124.255 122.820 0.011 0.000 2.276 107 A HA 0.120 4.865 4.320 0.708 0.000 0.300 107 A C -0.210 177.432 177.584 0.097 0.000 1.235 107 A CA -0.491 51.538 52.037 -0.014 0.000 0.867 107 A CB 0.623 19.425 19.000 -0.331 0.000 1.137 107 A HN -0.142 nan 8.150 nan 0.000 0.527 108 D N 4.055 124.575 120.400 0.201 0.000 2.899 108 D HA -0.035 5.030 4.640 0.708 0.000 0.254 108 D C -1.379 174.912 176.300 -0.015 0.000 1.320 108 D CA -0.811 53.246 54.000 0.095 0.000 0.929 108 D CB 0.573 41.444 40.800 0.119 0.000 1.148 108 D HN 0.216 nan 8.370 nan 0.000 0.571 109 P HA -0.156 nan 4.420 nan 0.000 0.217 109 P C 0.650 177.742 177.300 -0.347 0.000 1.148 109 P CA 1.337 63.851 63.100 -0.977 0.000 0.828 109 P CB 0.059 30.903 31.700 -1.428 0.000 0.783 110 H N -1.493 117.459 119.070 -0.197 0.000 2.495 110 H HA -0.001 4.980 4.556 0.708 0.000 0.287 110 H C 2.040 177.349 175.328 -0.033 0.000 1.033 110 H CA 1.095 57.044 56.048 -0.164 0.000 1.307 110 H CB -0.069 29.471 29.762 -0.370 0.000 1.401 110 H HN 0.117 nan 8.280 nan 0.000 0.555 111 K N -0.160 120.241 120.400 0.001 0.000 2.137 111 K HA -0.067 4.678 4.320 0.708 0.000 0.202 111 K C 0.550 177.034 176.600 -0.193 0.000 1.052 111 K CA 0.975 57.148 56.287 -0.189 0.000 0.961 111 K CB 0.288 32.510 32.500 -0.464 0.000 0.741 111 K HN 0.270 nan 8.250 nan 0.000 0.452 112 Y N -1.463 118.968 120.300 0.219 0.000 2.444 112 Y HA 0.173 5.148 4.550 0.707 0.000 0.249 112 Y C -0.040 176.281 175.900 0.702 0.000 1.134 112 Y CA -0.652 57.681 58.100 0.388 0.000 1.261 112 Y CB 0.533 39.194 38.460 0.335 0.000 1.143 112 Y HN 0.021 nan 8.280 nan 0.000 0.523 113 W N 0.700 122.228 121.300 0.379 0.000 2.762 113 W HA 0.633 5.719 4.660 0.710 0.000 0.355 113 W C -0.467 176.184 176.519 0.219 0.000 1.124 113 W CA -1.877 55.650 57.345 0.304 0.000 1.141 113 W CB 0.575 30.184 29.460 0.249 0.000 1.432 113 W HN -0.298 nan 8.180 nan 0.000 0.586 114 E N 0.441 120.815 120.200 0.290 0.000 2.308 114 E HA 0.451 5.226 4.350 0.708 0.000 0.275 114 E C -1.541 175.036 176.600 -0.038 0.000 0.890 114 E CA -0.779 55.712 56.400 0.152 0.000 0.754 114 E CB 3.012 32.750 29.700 0.064 0.000 1.207 114 E HN 0.020 nan 8.360 nan 0.000 0.426 115 V N 3.056 122.904 119.914 -0.109 0.000 2.427 115 V HA 0.385 4.930 4.120 0.708 0.000 0.286 115 V C -0.321 175.790 176.094 0.028 0.000 1.034 115 V CA -0.647 61.550 62.300 -0.172 0.000 0.893 115 V CB 1.598 33.180 31.823 -0.402 0.000 0.982 115 V HN 0.393 nan 8.190 nan 0.000 0.452 116 V N 3.297 123.242 119.914 0.051 0.000 2.540 116 V HA 0.349 4.894 4.120 0.708 0.000 0.302 116 V C -0.315 175.822 176.094 0.072 0.000 1.035 116 V CA -0.695 61.642 62.300 0.062 0.000 0.873 116 V CB 2.076 33.898 31.823 -0.003 0.000 0.992 116 V HN 0.903 nan 8.190 nan 0.000 0.428 117 D N 4.484 124.910 120.400 0.043 0.000 2.359 117 D HA 0.107 5.172 4.640 0.708 0.000 0.250 117 D C 1.266 177.444 176.300 -0.203 0.000 1.264 117 D CA -0.152 53.691 54.000 -0.262 0.000 0.911 117 D CB 0.731 41.486 40.800 -0.075 0.000 1.056 117 D HN 0.307 nan 8.370 nan 0.000 0.499 118 R N 2.165 122.525 120.500 -0.233 0.000 2.148 118 R HA -0.049 4.716 4.340 0.708 0.000 0.227 118 R C 1.643 177.843 176.300 -0.167 0.000 1.103 118 R CA 0.678 56.688 56.100 -0.151 0.000 0.983 118 R CB -0.604 29.628 30.300 -0.113 0.000 0.874 118 R HN 0.432 nan 8.270 nan 0.000 0.451 119 T N 0.203 114.607 114.554 -0.250 0.000 2.867 119 T HA -0.097 4.678 4.350 0.708 0.000 0.268 119 T C 1.750 176.295 174.700 -0.259 0.000 1.057 119 T CA 1.947 63.867 62.100 -0.301 0.000 1.136 119 T CB -0.064 68.480 68.868 -0.540 0.000 0.874 119 T HN 0.497 nan 8.240 nan 0.000 0.466 120 T N -2.387 112.056 114.554 -0.185 0.000 2.971 120 T HA 0.466 5.241 4.350 0.708 0.000 0.252 120 T C 1.865 176.535 174.700 -0.049 0.000 1.022 120 T CA 0.827 62.874 62.100 -0.088 0.000 0.980 120 T CB 0.299 69.166 68.868 -0.001 0.000 1.044 120 T HN 0.443 nan 8.240 nan 0.000 0.501 121 G N 1.499 110.265 108.800 -0.058 0.000 2.205 121 G HA2 -0.221 4.164 3.960 0.708 0.000 0.261 121 G HA3 -0.221 4.164 3.960 0.708 0.000 0.261 121 G C -0.104 174.791 174.900 -0.010 0.000 0.980 121 G CA 0.107 45.184 45.100 -0.038 0.000 0.632 121 G HN 0.602 nan 8.290 nan 0.000 0.533 122 E N 0.380 120.588 120.200 0.014 0.000 2.354 122 E HA 0.419 5.194 4.350 0.708 0.000 0.269 122 E C 0.549 177.192 176.600 0.071 0.000 1.036 122 E CA -0.421 56.008 56.400 0.048 0.000 0.876 122 E CB 1.864 31.608 29.700 0.073 0.000 1.009 122 E HN 0.157 nan 8.360 nan 0.000 0.416 123 V N 3.374 123.335 119.914 0.078 0.000 2.508 123 V HA 0.006 4.550 4.120 0.708 0.000 0.281 123 V C 0.459 176.646 176.094 0.155 0.000 1.041 123 V CA -0.411 61.954 62.300 0.108 0.000 1.016 123 V CB 1.224 33.107 31.823 0.100 0.000 0.984 123 V HN 0.371 nan 8.190 nan 0.000 0.478 124 V N 5.144 125.179 119.914 0.202 0.000 2.521 124 V HA 0.036 4.580 4.120 0.708 0.000 0.286 124 V C 0.801 177.073 176.094 0.296 0.000 1.034 124 V CA -0.192 62.257 62.300 0.249 0.000 1.045 124 V CB 0.900 32.889 31.823 0.277 0.000 0.974 124 V HN 0.909 nan 8.190 nan 0.000 0.480 125 D N 3.932 124.462 120.400 0.217 0.000 2.586 125 D HA -0.091 4.974 4.640 0.708 0.000 0.234 125 D C 1.450 177.877 176.300 0.211 0.000 1.132 125 D CA 0.778 54.882 54.000 0.173 0.000 0.860 125 D CB 1.067 41.924 40.800 0.095 0.000 1.159 125 D HN 0.780 nan 8.370 nan 0.000 0.490 126 S N 2.828 118.615 115.700 0.145 0.000 2.500 126 S HA -0.122 4.773 4.470 0.708 0.000 0.239 126 S C 1.726 176.105 174.600 -0.369 0.000 0.989 126 S CA 0.725 58.873 58.200 -0.086 0.000 0.951 126 S CB 0.039 63.248 63.200 0.015 0.000 0.759 126 S HN 0.505 nan 8.310 nan 0.000 0.523 127 A N 2.180 124.887 122.820 -0.188 0.000 2.119 127 A HA 0.127 4.872 4.320 0.708 0.000 0.216 127 A C 1.754 179.275 177.584 -0.104 0.000 1.152 127 A CA 0.840 52.758 52.037 -0.198 0.000 0.708 127 A CB -0.599 18.330 19.000 -0.117 0.000 0.805 127 A HN 0.749 nan 8.150 nan 0.000 0.460 128 N N -0.356 118.346 118.700 0.004 0.000 2.268 128 N HA 0.126 5.290 4.740 0.708 0.000 0.204 128 N C -0.321 175.328 175.510 0.231 0.000 1.124 128 N CA -0.215 52.892 53.050 0.096 0.000 0.838 128 N CB 0.242 38.800 38.487 0.118 0.000 0.994 128 N HN 0.823 nan 8.380 nan 0.000 0.489 129 W N 0.691 122.060 121.300 0.115 0.000 3.107 129 W HA 0.503 5.588 4.660 0.709 0.000 0.331 129 W C -1.265 175.392 176.519 0.230 0.000 1.204 129 W CA -0.898 56.531 57.345 0.140 0.000 1.184 129 W CB 0.610 30.139 29.460 0.114 0.000 1.421 129 W HN -0.255 nan 8.180 nan 0.000 0.544 130 T N 0.347 115.202 114.554 0.502 0.000 2.912 130 T HA 0.487 5.261 4.350 0.708 0.000 0.299 130 T C -1.295 173.657 174.700 0.420 0.000 1.052 130 T CA -0.791 61.520 62.100 0.352 0.000 0.996 130 T CB 2.247 71.248 68.868 0.221 0.000 1.070 130 T HN 0.574 nan 8.240 nan 0.000 0.465 131 L N 2.520 123.927 121.223 0.306 0.000 2.360 131 L HA 0.370 5.134 4.340 0.708 0.000 0.276 131 L C 0.331 177.295 176.870 0.157 0.000 1.121 131 L CA 0.026 54.989 54.840 0.204 0.000 0.845 131 L CB 0.303 42.419 42.059 0.096 0.000 1.143 131 L HN 0.808 nan 8.230 nan 0.000 0.452 132 D N 3.755 124.228 120.400 0.122 0.000 2.493 132 D HA -0.013 5.052 4.640 0.708 0.000 0.240 132 D C 0.877 177.240 176.300 0.106 0.000 1.142 132 D CA 0.685 54.786 54.000 0.169 0.000 0.872 132 D CB 1.682 42.586 40.800 0.173 0.000 1.173 132 D HN 0.852 nan 8.370 nan 0.000 0.467 133 A N 4.246 127.124 122.820 0.097 0.000 1.978 133 A HA -0.185 4.560 4.320 0.708 0.000 0.220 133 A C 1.523 179.140 177.584 0.056 0.000 1.170 133 A CA 1.380 53.454 52.037 0.062 0.000 0.636 133 A CB 0.136 19.166 19.000 0.049 0.000 0.810 133 A HN 0.631 nan 8.150 nan 0.000 0.448 134 D N -1.172 119.267 120.400 0.064 0.000 2.454 134 D HA 0.096 5.160 4.640 0.708 0.000 0.219 134 D C 0.503 176.832 176.300 0.049 0.000 1.081 134 D CA 0.628 54.658 54.000 0.051 0.000 0.867 134 D CB 0.381 41.210 40.800 0.049 0.000 1.054 134 D HN 0.853 nan 8.370 nan 0.000 0.500 135 E N 0.148 120.380 120.200 0.054 0.000 2.433 135 E HA 0.295 5.070 4.350 0.708 0.000 0.273 135 E C -1.202 175.410 176.600 0.019 0.000 0.950 135 E CA -0.767 55.656 56.400 0.038 0.000 0.796 135 E CB 1.257 30.981 29.700 0.040 0.000 1.330 135 E HN -0.357 nan 8.360 nan 0.000 0.455 136 D N 1.642 122.041 120.400 -0.001 0.000 2.600 136 D HA 0.192 5.257 4.640 0.708 0.000 0.226 136 D C -0.863 175.386 176.300 -0.086 0.000 1.119 136 D CA 0.340 54.314 54.000 -0.044 0.000 1.051 136 D CB 0.125 40.890 40.800 -0.058 0.000 1.106 136 D HN 0.274 nan 8.370 nan 0.000 0.491 137 T N -0.357 114.141 114.554 -0.094 0.000 2.952 137 T HA 0.314 5.089 4.350 0.708 0.000 0.305 137 T C -0.152 174.390 174.700 -0.264 0.000 1.064 137 T CA -0.582 61.409 62.100 -0.182 0.000 1.008 137 T CB 2.433 71.181 68.868 -0.200 0.000 1.078 137 T HN -0.175 nan 8.240 nan 0.000 0.459 138 V N 4.284 124.054 119.914 -0.240 0.000 2.398 138 V HA 0.358 4.902 4.120 0.708 0.000 0.286 138 V C -0.324 175.632 176.094 -0.231 0.000 1.026 138 V CA -0.818 61.389 62.300 -0.154 0.000 0.868 138 V CB 0.917 32.686 31.823 -0.091 0.000 0.982 138 V HN 0.821 nan 8.190 nan 0.000 0.443 139 H N 3.778 122.928 119.070 0.134 0.000 2.517 139 H HA 0.545 5.526 4.556 0.709 0.000 0.317 139 H C -0.566 174.840 175.328 0.130 0.000 1.080 139 H CA -0.329 55.774 56.048 0.091 0.000 1.301 139 H CB 1.833 31.642 29.762 0.078 0.000 1.425 139 H HN 0.380 nan 8.280 nan 0.000 0.471 140 V N 3.007 123.007 119.914 0.142 0.000 2.555 140 V HA 0.394 4.939 4.120 0.708 0.000 0.302 140 V C 0.243 176.346 176.094 0.015 0.000 1.038 140 V CA -0.755 61.599 62.300 0.089 0.000 0.887 140 V CB 1.732 33.508 31.823 -0.077 0.000 0.991 140 V HN 0.919 nan 8.190 nan 0.000 0.434 141 S N 1.494 117.212 115.700 0.031 0.000 2.667 141 S HA 0.828 5.723 4.470 0.708 0.000 0.292 141 S C 0.643 175.230 174.600 -0.022 0.000 1.126 141 S CA -0.081 58.110 58.200 -0.014 0.000 0.881 141 S CB 1.741 64.945 63.200 0.006 0.000 1.132 141 S HN 2.338 nan 8.310 nan 0.000 0.492 142 G N -0.391 108.387 108.800 -0.036 0.000 2.160 142 G HA2 -0.200 4.184 3.960 0.708 0.000 0.251 142 G HA3 -0.200 4.184 3.960 0.708 0.000 0.251 142 G C 0.176 175.056 174.900 -0.033 0.000 1.008 142 G CA 0.324 45.410 45.100 -0.023 0.000 0.724 142 G HN 1.895 nan 8.290 nan 0.000 0.514 143 V N -2.582 117.277 119.914 -0.092 0.000 3.262 143 V HA 0.925 5.470 4.120 0.708 0.000 0.313 143 V C 0.768 176.812 176.094 -0.084 0.000 1.070 143 V CA -0.508 61.729 62.300 -0.105 0.000 1.049 143 V CB 1.611 33.177 31.823 -0.429 0.000 1.157 143 V HN 1.707 nan 8.190 nan 0.000 0.454 144 A N 1.399 124.189 122.820 -0.050 0.000 2.289 144 A HA 0.807 5.552 4.320 0.708 0.000 0.298 144 A C 0.549 177.993 177.584 -0.234 0.000 1.208 144 A CA -0.062 51.817 52.037 -0.263 0.000 0.845 144 A CB 0.024 18.588 19.000 -0.727 0.000 1.125 144 A HN 2.061 nan 8.150 nan 0.000 0.517 145 A N 1.737 124.422 122.820 -0.226 0.000 2.483 145 A HA 0.412 5.157 4.320 0.708 0.000 0.238 145 A C 0.253 177.710 177.584 -0.210 0.000 1.070 145 A CA 0.796 52.591 52.037 -0.404 0.000 0.770 145 A CB -0.867 17.796 19.000 -0.562 0.000 1.008 145 A HN 1.675 nan 8.150 nan 0.000 0.497 146 W N -1.519 119.870 121.300 0.149 0.000 2.279 146 W HA -0.190 4.895 4.660 0.707 0.000 0.275 146 W C 0.396 177.091 176.519 0.293 0.000 1.083 146 W CA 0.769 58.224 57.345 0.184 0.000 0.504 146 W CB -2.333 27.213 29.460 0.143 0.000 2.112 146 W HN 0.891 nan 8.180 nan 0.000 1.261 147 H N 0.276 119.447 119.070 0.167 0.000 2.544 147 H HA 0.468 5.449 4.556 0.708 0.000 0.342 147 H C 0.242 175.525 175.328 -0.075 0.000 1.185 147 H CA -0.950 55.087 56.048 -0.019 0.000 1.264 147 H CB 1.200 30.840 29.762 -0.203 0.000 1.607 147 H HN -0.073 nan 8.280 nan 0.000 0.550 148 E N 1.333 121.468 120.200 -0.108 0.000 2.191 148 E HA 0.230 5.005 4.350 0.708 0.000 0.278 148 E C -1.262 175.165 176.600 -0.288 0.000 0.972 148 E CA -0.431 55.927 56.400 -0.070 0.000 0.804 148 E CB 1.424 31.101 29.700 -0.038 0.000 1.110 148 E HN 0.373 nan 8.360 nan 0.000 0.394 149 Y N 0.340 120.664 120.300 0.041 0.000 2.485 149 Y HA 0.390 5.365 4.550 0.708 0.000 0.345 149 Y C 0.386 176.286 175.900 -0.001 0.000 0.998 149 Y CA -0.661 57.450 58.100 0.019 0.000 1.059 149 Y CB 2.311 40.778 38.460 0.011 0.000 1.234 149 Y HN 0.445 nan 8.280 nan 0.000 0.461 150 T N -1.356 113.270 114.554 0.120 0.000 2.896 150 T HA 0.798 5.573 4.350 0.708 0.000 0.297 150 T C -1.428 173.280 174.700 0.014 0.000 1.108 150 T CA -0.882 61.254 62.100 0.060 0.000 1.004 150 T CB 1.402 70.287 68.868 0.027 0.000 1.159 150 T HN 0.325 nan 8.240 nan 0.000 0.499 151 V N 1.639 121.559 119.914 0.010 0.000 2.513 151 V HA 0.630 5.175 4.120 0.708 0.000 0.299 151 V C -0.090 176.026 176.094 0.036 0.000 1.035 151 V CA -0.767 61.511 62.300 -0.036 0.000 0.889 151 V CB 1.957 33.726 31.823 -0.089 0.000 0.988 151 V HN 1.085 nan 8.190 nan 0.000 0.440 152 S N 5.290 120.969 115.700 -0.035 0.000 2.438 152 S HA 0.761 5.656 4.470 0.708 0.000 0.316 152 S C -0.665 173.857 174.600 -0.130 0.000 1.084 152 S CA -0.453 57.690 58.200 -0.095 0.000 1.107 152 S CB 0.454 63.559 63.200 -0.158 0.000 0.981 152 S HN 0.610 nan 8.310 nan 0.000 0.466 153 F N 0.738 120.404 119.950 -0.474 0.000 2.588 153 F HA 0.718 5.672 4.527 0.711 0.000 0.314 153 F C -1.080 174.253 175.800 -0.778 0.000 1.069 153 F CA -1.575 55.671 58.000 -1.256 0.000 0.931 153 F CB 0.737 38.502 39.000 -2.058 0.000 1.260 153 F HN 0.227 nan 8.300 nan 0.000 0.465 154 L N 2.766 123.577 121.223 -0.686 0.000 2.380 154 L HA 0.647 5.412 4.340 0.708 0.000 0.273 154 L C 0.031 176.690 176.870 -0.351 0.000 1.138 154 L CA -0.638 53.856 54.840 -0.576 0.000 0.832 154 L CB 1.181 43.003 42.059 -0.395 0.000 1.124 154 L HN 0.950 nan 8.230 nan 0.000 0.454 155 A N 3.508 126.063 122.820 -0.443 0.000 2.356 155 A HA 0.602 5.347 4.320 0.708 0.000 0.310 155 A C -1.235 176.211 177.584 -0.230 0.000 1.075 155 A CA -0.525 51.365 52.037 -0.244 0.000 0.746 155 A CB 0.704 19.535 19.000 -0.282 0.000 1.221 155 A HN 0.491 nan 8.150 nan 0.000 0.443 156 Y N 1.262 121.540 120.300 -0.038 0.000 2.497 156 Y HA 0.282 5.257 4.550 0.707 0.000 0.334 156 Y C 0.599 176.487 175.900 -0.019 0.000 1.199 156 Y CA 0.300 58.389 58.100 -0.019 0.000 1.425 156 Y CB 0.499 38.964 38.460 0.009 0.000 1.291 156 Y HN 0.456 nan 8.280 nan 0.000 0.562 157 I N 5.747 126.421 120.570 0.174 0.000 2.307 157 I HA 0.148 4.743 4.170 0.708 0.000 0.287 157 I C 0.894 177.089 176.117 0.129 0.000 1.054 157 I CA -0.050 61.313 61.300 0.104 0.000 1.218 157 I CB 0.468 38.508 38.000 0.068 0.000 1.398 157 I HN 0.668 nan 8.210 nan 0.000 0.475 158 I N 2.805 123.447 120.570 0.121 0.000 3.956 158 I HA 0.278 4.873 4.170 0.708 0.000 0.333 158 I C -0.195 176.021 176.117 0.165 0.000 1.302 158 I CA 0.106 61.468 61.300 0.103 0.000 1.122 158 I CB 0.379 38.407 38.000 0.045 0.000 1.013 158 I HN 0.430 nan 8.210 nan 0.000 0.405 159 W N 2.994 124.265 121.300 -0.048 0.000 2.830 159 W HA 0.376 5.464 4.660 0.714 0.000 0.335 159 W C -1.031 175.437 176.519 -0.084 0.000 1.043 159 W CA -1.883 55.419 57.345 -0.072 0.000 1.239 159 W CB 1.229 30.590 29.460 -0.164 0.000 1.378 159 W HN 0.021 nan 8.180 nan 0.000 0.456 160 D N 6.788 127.339 120.400 0.251 0.000 2.520 160 D HA 0.009 5.074 4.640 0.708 0.000 0.243 160 D C -1.431 174.757 176.300 -0.186 0.000 1.160 160 D CA -0.140 53.869 54.000 0.016 0.000 0.877 160 D CB 1.668 42.478 40.800 0.017 0.000 1.150 160 D HN 0.026 nan 8.370 nan 0.000 0.494 161 P HA -0.188 nan 4.420 nan 0.000 0.215 161 P C 1.382 178.475 177.300 -0.346 0.000 1.153 161 P CA 0.595 63.500 63.100 -0.325 0.000 0.853 161 P CB 0.207 31.751 31.700 -0.259 0.000 0.788 162 V N 0.113 119.879 119.914 -0.247 0.000 2.307 162 V HA -0.202 4.343 4.120 0.708 0.000 0.245 162 V C 2.491 178.503 176.094 -0.138 0.000 1.045 162 V CA 1.713 63.916 62.300 -0.162 0.000 1.024 162 V CB -1.077 30.680 31.823 -0.109 0.000 0.651 162 V HN 0.168 nan 8.190 nan 0.000 0.449 163 E N -0.094 120.020 120.200 -0.144 0.000 2.110 163 E HA -0.257 4.518 4.350 0.708 0.000 0.193 163 E C 2.172 178.653 176.600 -0.198 0.000 0.988 163 E CA 1.725 58.100 56.400 -0.042 0.000 0.804 163 E CB -0.136 29.628 29.700 0.107 0.000 0.745 163 E HN 0.596 nan 8.360 nan 0.000 0.458 164 M N -0.339 118.847 119.600 -0.690 0.000 2.067 164 M HA -0.235 4.670 4.480 0.708 0.000 0.260 164 M C 2.327 178.118 176.300 -0.848 0.000 1.069 164 M CA 1.682 56.119 55.300 -1.439 0.000 1.117 164 M CB -0.496 30.899 32.600 -2.008 0.000 1.334 164 M HN 0.125 nan 8.290 nan 0.000 0.407 165 Y N 1.481 121.344 120.300 -0.727 0.000 2.102 165 Y HA -0.342 4.640 4.550 0.720 0.000 0.280 165 Y C 1.661 177.316 175.900 -0.407 0.000 1.178 165 Y CA 2.710 60.524 58.100 -0.477 0.000 1.146 165 Y CB -0.858 37.430 38.460 -0.286 0.000 0.968 165 Y HN 0.466 nan 8.280 nan 0.000 0.504 166 N N -1.496 116.906 118.700 -0.497 0.000 2.166 166 N HA -0.208 4.956 4.740 0.708 0.000 0.186 166 N C 1.758 176.519 175.510 -1.248 0.000 1.019 166 N CA 1.144 53.726 53.050 -0.780 0.000 0.856 166 N CB -0.417 37.757 38.487 -0.522 0.000 0.993 166 N HN 0.551 nan 8.380 nan 0.000 0.426 167 H N 0.673 119.111 119.070 -1.053 0.000 2.290 167 H HA -0.024 4.956 4.556 0.707 0.000 0.298 167 H C 1.892 176.922 175.328 -0.497 0.000 1.087 167 H CA 1.447 57.078 56.048 -0.696 0.000 1.291 167 H CB 0.002 29.857 29.762 0.154 0.000 1.369 167 H HN 0.105 nan 8.280 nan 0.000 0.492 168 L N -0.584 120.512 121.223 -0.211 0.000 2.056 168 L HA -0.137 4.628 4.340 0.708 0.000 0.207 168 L C 2.524 179.231 176.870 -0.271 0.000 1.078 168 L CA 1.535 56.287 54.840 -0.147 0.000 0.749 168 L CB -0.463 41.488 42.059 -0.179 0.000 0.901 168 L HN 0.374 nan 8.230 nan 0.000 0.433 169 T N -0.576 113.675 114.554 -0.505 0.000 2.821 169 T HA -0.130 4.645 4.350 0.708 0.000 0.267 169 T C 1.266 175.755 174.700 -0.352 0.000 1.046 169 T CA 1.494 63.304 62.100 -0.483 0.000 1.139 169 T CB -0.291 68.106 68.868 -0.785 0.000 0.871 169 T HN 0.388 nan 8.240 nan 0.000 0.454 170 N N 0.731 119.132 118.700 -0.498 0.000 2.235 170 N HA 0.129 5.294 4.740 0.708 0.000 0.209 170 N C -0.442 174.964 175.510 -0.173 0.000 1.122 170 N CA -0.068 52.788 53.050 -0.323 0.000 0.845 170 N CB 0.327 38.569 38.487 -0.410 0.000 1.004 170 N HN 0.091 nan 8.380 nan 0.000 0.499 171 D N -0.383 119.917 120.400 -0.165 0.000 2.803 171 D HA -0.188 4.877 4.640 0.708 0.000 0.233 171 D C -0.421 175.938 176.300 0.099 0.000 1.182 171 D CA 0.224 54.226 54.000 0.003 0.000 0.726 171 D CB -0.879 39.949 40.800 0.046 0.000 0.987 171 D HN 0.324 nan 8.370 nan 0.000 0.412 172 W N 1.222 122.350 121.300 -0.287 0.000 3.077 172 W HA 0.327 5.413 4.660 0.710 0.000 0.245 172 W C 2.113 178.457 176.519 -0.292 0.000 1.316 172 W CA 0.679 57.748 57.345 -0.460 0.000 1.537 172 W CB -0.825 28.136 29.460 -0.832 0.000 1.131 172 W HN 0.581 nan 8.180 nan 0.000 0.695 173 G N 1.625 110.528 108.800 0.170 0.000 2.634 173 G HA2 -0.407 3.978 3.960 0.708 0.000 0.318 173 G HA3 -0.407 3.978 3.960 0.708 0.000 0.318 173 G C 0.793 175.929 174.900 0.394 0.000 1.207 173 G CA 1.119 46.387 45.100 0.280 0.000 0.987 173 G HN 0.184 nan 8.290 nan 0.000 0.547 174 D N 1.695 122.238 120.400 0.237 0.000 2.340 174 D HA 0.119 5.184 4.640 0.708 0.000 0.220 174 D C 1.340 177.753 176.300 0.188 0.000 1.039 174 D CA 0.533 54.645 54.000 0.188 0.000 0.866 174 D CB 0.076 40.930 40.800 0.090 0.000 0.913 174 D HN 0.564 nan 8.370 nan 0.000 0.523 175 K N 1.713 122.270 120.400 0.261 0.000 2.485 175 K HA -0.071 4.674 4.320 0.708 0.000 0.277 175 K C 0.350 177.111 176.600 0.269 0.000 0.990 175 K CA -0.079 56.330 56.287 0.202 0.000 0.994 175 K CB 0.707 33.276 32.500 0.115 0.000 0.906 175 K HN -0.051 nan 8.250 nan 0.000 0.488 176 E N 2.739 122.996 120.200 0.094 0.000 2.413 176 E HA -0.056 4.719 4.350 0.708 0.000 0.263 176 E C -0.832 175.829 176.600 0.100 0.000 1.015 176 E CA 0.046 56.437 56.400 -0.016 0.000 0.916 176 E CB 0.393 30.066 29.700 -0.045 0.000 0.947 176 E HN 0.532 nan 8.360 nan 0.000 0.440 177 H N 3.385 122.281 119.070 -0.289 0.000 2.690 177 H HA 0.115 5.097 4.556 0.709 0.000 0.314 177 H C -0.291 174.906 175.328 -0.218 0.000 1.069 177 H CA -0.684 55.041 56.048 -0.538 0.000 1.436 177 H CB 0.733 29.572 29.762 -1.539 0.000 1.462 177 H HN 0.445 nan 8.280 nan 0.000 0.511 178 E N 3.639 123.950 120.200 0.186 0.000 2.290 178 E HA 0.110 4.885 4.350 0.708 0.000 0.277 178 E C -0.195 176.528 176.600 0.204 0.000 1.035 178 E CA -0.133 56.374 56.400 0.180 0.000 0.873 178 E CB 1.234 31.035 29.700 0.170 0.000 1.029 178 E HN 0.413 nan 8.360 nan 0.000 0.419 179 I N 5.980 126.646 120.570 0.160 0.000 2.331 179 I HA 0.204 4.799 4.170 0.708 0.000 0.292 179 I C -1.943 174.288 176.117 0.190 0.000 0.998 179 I CA -2.151 59.250 61.300 0.168 0.000 1.267 179 I CB 1.011 39.093 38.000 0.136 0.000 1.386 179 I HN 0.254 nan 8.210 nan 0.000 0.476 180 P HA 0.351 nan 4.420 nan 0.000 0.278 180 P C -1.243 176.130 177.300 0.121 0.000 1.258 180 P CA -0.209 62.870 63.100 -0.035 0.000 0.811 180 P CB 0.854 32.546 31.700 -0.014 0.000 1.063 181 F N -1.724 118.348 119.950 0.203 0.000 2.588 181 F HA 0.624 5.578 4.527 0.711 0.000 0.314 181 F C -0.590 175.353 175.800 0.237 0.000 1.069 181 F CA -1.250 56.897 58.000 0.245 0.000 0.931 181 F CB 1.142 40.339 39.000 0.329 0.000 1.260 181 F HN 0.047 nan 8.300 nan 0.000 0.465 182 D N 2.220 122.919 120.400 0.499 0.000 2.414 182 D HA 0.284 5.348 4.640 0.708 0.000 0.232 182 D C 0.664 177.196 176.300 0.388 0.000 1.070 182 D CA -0.589 53.639 54.000 0.380 0.000 0.839 182 D CB 1.326 42.389 40.800 0.439 0.000 1.079 182 D HN 0.693 nan 8.370 nan 0.000 0.521 183 I N 1.553 122.272 120.570 0.247 0.000 3.334 183 I HA -0.014 4.580 4.170 0.708 0.000 0.282 183 I C 1.288 177.592 176.117 0.310 0.000 1.313 183 I CA 0.189 61.608 61.300 0.199 0.000 1.396 183 I CB -0.414 37.524 38.000 -0.103 0.000 1.054 183 I HN 0.267 nan 8.210 nan 0.000 0.495 184 Y N 1.945 122.296 120.300 0.085 0.000 2.333 184 Y HA -0.093 4.881 4.550 0.708 0.000 0.290 184 Y C 1.411 177.197 175.900 -0.190 0.000 1.144 184 Y CA 1.021 58.962 58.100 -0.266 0.000 1.228 184 Y CB -0.122 38.025 38.460 -0.522 0.000 0.985 184 Y HN 0.300 nan 8.280 nan 0.000 0.542 185 H N 1.489 120.690 119.070 0.220 0.000 2.580 185 H HA 0.100 5.081 4.556 0.708 0.000 0.322 185 H C -1.531 173.874 175.328 0.128 0.000 1.082 185 H CA -1.927 54.222 56.048 0.169 0.000 1.383 185 H CB 0.832 30.726 29.762 0.219 0.000 1.450 185 H HN 0.150 nan 8.280 nan 0.000 0.505 186 P HA -0.124 nan 4.420 nan 0.000 0.218 186 P C 1.253 178.643 177.300 0.150 0.000 1.149 186 P CA 1.174 64.351 63.100 0.128 0.000 0.817 186 P CB 0.236 31.989 31.700 0.089 0.000 0.785 187 A N 0.223 123.161 122.820 0.196 0.000 1.858 187 A HA -0.146 4.598 4.320 0.708 0.000 0.216 187 A C 2.411 180.107 177.584 0.188 0.000 1.190 187 A CA 2.515 54.683 52.037 0.218 0.000 0.617 187 A CB -1.954 17.187 19.000 0.235 0.000 0.827 187 A HN 0.158 nan 8.150 nan 0.000 0.443 188 T N -0.774 113.970 114.554 0.317 0.000 2.720 188 T HA -0.183 4.592 4.350 0.708 0.000 0.268 188 T C 2.073 176.796 174.700 0.038 0.000 1.037 188 T CA 1.743 63.959 62.100 0.194 0.000 1.144 188 T CB -0.249 68.887 68.868 0.446 0.000 0.864 188 T HN 0.563 nan 8.240 nan 0.000 0.444 189 R N 0.985 121.557 120.500 0.120 0.000 2.073 189 R HA -0.082 4.682 4.340 0.708 0.000 0.234 189 R C 2.453 178.828 176.300 0.124 0.000 1.134 189 R CA 1.734 57.898 56.100 0.106 0.000 0.952 189 R CB -0.147 30.248 30.300 0.158 0.000 0.850 189 R HN 0.291 nan 8.270 nan 0.000 0.433 190 K N -0.429 120.015 120.400 0.074 0.000 2.026 190 K HA -0.206 4.539 4.320 0.708 0.000 0.208 190 K C 1.918 178.466 176.600 -0.086 0.000 1.048 190 K CA 1.739 58.052 56.287 0.042 0.000 0.929 190 K CB -0.350 32.164 32.500 0.024 0.000 0.713 190 K HN 0.186 nan 8.250 nan 0.000 0.439 191 F N 1.010 120.676 119.950 -0.474 0.000 2.126 191 F HA -0.227 4.724 4.527 0.707 0.000 0.299 191 F C 1.735 177.247 175.800 -0.480 0.000 1.096 191 F CA 1.424 58.973 58.000 -0.752 0.000 1.255 191 F CB -0.331 37.576 39.000 -1.821 0.000 0.997 191 F HN -0.166 nan 8.300 nan 0.000 0.479 192 V N -0.212 119.476 119.914 -0.377 0.000 2.307 192 V HA -0.285 4.260 4.120 0.708 0.000 0.245 192 V C 2.242 178.159 176.094 -0.294 0.000 1.045 192 V CA 2.060 64.173 62.300 -0.310 0.000 1.024 192 V CB -0.827 30.913 31.823 -0.137 0.000 0.651 192 V HN 0.286 nan 8.190 nan 0.000 0.449 193 F N 0.467 120.367 119.950 -0.083 0.000 2.146 193 F HA -0.102 4.850 4.527 0.708 0.000 0.298 193 F C 2.267 178.047 175.800 -0.034 0.000 1.096 193 F CA 1.496 59.492 58.000 -0.006 0.000 1.275 193 F CB -0.649 38.334 39.000 -0.028 0.000 1.008 193 F HN 0.196 nan 8.300 nan 0.000 0.480 194 D N -0.499 119.912 120.400 0.019 0.000 2.123 194 D HA -0.141 4.924 4.640 0.708 0.000 0.196 194 D C 2.282 178.504 176.300 -0.130 0.000 0.992 194 D CA 1.865 55.823 54.000 -0.071 0.000 0.833 194 D CB -0.747 39.971 40.800 -0.137 0.000 0.954 194 D HN 0.177 nan 8.370 nan 0.000 0.455 195 T N 0.273 114.636 114.554 -0.319 0.000 2.777 195 T HA -0.124 4.651 4.350 0.708 0.000 0.266 195 T C 1.667 176.410 174.700 0.072 0.000 1.040 195 T CA 0.503 62.432 62.100 -0.285 0.000 1.141 195 T CB -0.376 68.047 68.868 -0.741 0.000 0.868 195 T HN 0.088 nan 8.240 nan 0.000 0.444 196 F N 2.065 121.990 119.950 -0.041 0.000 2.134 196 F HA -0.016 4.937 4.527 0.711 0.000 0.299 196 F C 2.373 178.231 175.800 0.098 0.000 1.097 196 F CA 1.294 59.292 58.000 -0.004 0.000 1.264 196 F CB -0.389 38.528 39.000 -0.138 0.000 1.001 196 F HN 0.176 nan 8.300 nan 0.000 0.479 197 E N -0.313 119.888 120.200 0.002 0.000 2.070 197 E HA -0.355 4.419 4.350 0.708 0.000 0.197 197 E C 2.225 178.772 176.600 -0.088 0.000 1.004 197 E CA 1.659 58.011 56.400 -0.080 0.000 0.805 197 E CB -0.266 29.437 29.700 0.005 0.000 0.744 197 E HN 0.439 nan 8.360 nan 0.000 0.451 198 Q N 0.035 119.824 119.800 -0.018 0.000 2.046 198 Q HA -0.179 4.586 4.340 0.708 0.000 0.200 198 Q C 1.651 177.671 176.000 0.033 0.000 0.975 198 Q CA 2.132 57.937 55.803 0.004 0.000 0.836 198 Q CB -0.811 27.944 28.738 0.028 0.000 0.896 198 Q HN 0.515 nan 8.270 nan 0.000 0.428 199 W N 0.338 121.587 121.300 -0.086 0.000 2.318 199 W HA -0.243 4.843 4.660 0.710 0.000 0.313 199 W C 1.537 177.956 176.519 -0.166 0.000 1.221 199 W CA 1.980 59.298 57.345 -0.044 0.000 1.266 199 W CB -0.371 29.158 29.460 0.114 0.000 1.150 199 W HN 0.244 nan 8.180 nan 0.000 0.496 200 L N 0.536 121.657 121.223 -0.170 0.000 2.042 200 L HA -0.270 4.495 4.340 0.708 0.000 0.210 200 L C 2.555 179.235 176.870 -0.318 0.000 1.076 200 L CA 1.889 56.513 54.840 -0.361 0.000 0.749 200 L CB -0.856 40.963 42.059 -0.399 0.000 0.893 200 L HN -0.053 nan 8.230 nan 0.000 0.432 201 K N -0.306 119.965 120.400 -0.215 0.000 2.097 201 K HA -0.153 4.592 4.320 0.708 0.000 0.206 201 K C 1.233 177.723 176.600 -0.184 0.000 1.049 201 K CA 1.310 57.500 56.287 -0.162 0.000 0.933 201 K CB -0.133 32.306 32.500 -0.102 0.000 0.717 201 K HN 0.282 nan 8.250 nan 0.000 0.442 202 D N 0.020 120.287 120.400 -0.222 0.000 2.349 202 D HA 0.005 5.070 4.640 0.708 0.000 0.224 202 D C -0.084 176.016 176.300 -0.333 0.000 1.029 202 D CA 0.550 54.420 54.000 -0.217 0.000 0.879 202 D CB 0.497 41.209 40.800 -0.147 0.000 0.906 202 D HN -0.068 nan 8.370 nan 0.000 0.528 203 S N 1.343 116.756 115.700 -0.479 0.000 2.384 203 S HA 0.153 5.047 4.470 0.708 0.000 0.227 203 S C -1.710 172.689 174.600 -0.336 0.000 1.257 203 S CA -0.889 56.998 58.200 -0.523 0.000 1.249 203 S CB 1.408 63.994 63.200 -1.023 0.000 1.018 203 S HN 0.117 nan 8.310 nan 0.000 0.478 204 P HA -0.201 nan 4.420 nan 0.000 0.221 204 P C 1.512 178.749 177.300 -0.104 0.000 1.145 204 P CA 1.167 64.182 63.100 -0.140 0.000 0.795 204 P CB 0.164 31.804 31.700 -0.100 0.000 0.775 205 Q N 0.007 119.745 119.800 -0.104 0.000 2.378 205 Q HA 0.000 4.765 4.340 0.708 0.000 0.205 205 Q C 0.234 176.213 176.000 -0.035 0.000 0.954 205 Q CA 0.936 56.706 55.803 -0.056 0.000 0.901 205 Q CB -1.653 27.060 28.738 -0.042 0.000 0.981 205 Q HN 0.065 nan 8.270 nan 0.000 0.483 206 T N 3.175 117.683 114.554 -0.076 0.000 2.834 206 T HA 0.082 4.856 4.350 0.708 0.000 0.298 206 T C 0.099 174.808 174.700 0.014 0.000 0.966 206 T CA -0.008 62.080 62.100 -0.020 0.000 1.141 206 T CB 0.830 69.654 68.868 -0.073 0.000 0.905 206 T HN 0.213 nan 8.240 nan 0.000 0.535 207 D N 1.757 122.200 120.400 0.072 0.000 2.379 207 D HA 0.101 5.166 4.640 0.708 0.000 0.218 207 D C 0.319 176.665 176.300 0.077 0.000 1.006 207 D CA 0.576 54.624 54.000 0.080 0.000 0.893 207 D CB 0.643 41.507 40.800 0.106 0.000 1.019 207 D HN 0.271 nan 8.370 nan 0.000 0.503 208 V N 2.146 122.091 119.914 0.052 0.000 2.483 208 V HA 0.221 4.766 4.120 0.708 0.000 0.297 208 V C -0.058 175.984 176.094 -0.086 0.000 1.027 208 V CA -0.819 61.433 62.300 -0.080 0.000 0.855 208 V CB 2.510 34.065 31.823 -0.446 0.000 0.995 208 V HN -0.215 nan 8.190 nan 0.000 0.424 209 V N 5.343 125.203 119.914 -0.089 0.000 2.389 209 V HA 0.361 4.906 4.120 0.708 0.000 0.264 209 V C 0.672 176.493 176.094 -0.455 0.000 1.049 209 V CA -0.420 61.730 62.300 -0.250 0.000 0.932 209 V CB 0.841 32.451 31.823 -0.355 0.000 1.011 209 V HN 0.815 nan 8.190 nan 0.000 0.475 210 R N 4.908 125.169 120.500 -0.398 0.000 2.870 210 R HA 0.302 5.067 4.340 0.708 0.000 0.254 210 R C -0.815 175.238 176.300 -0.412 0.000 1.392 210 R CA -0.550 55.358 56.100 -0.319 0.000 1.322 210 R CB -0.091 30.111 30.300 -0.163 0.000 1.205 210 R HN 0.540 nan 8.270 nan 0.000 0.597 211 F N 1.897 121.658 119.950 -0.315 0.000 2.538 211 F HA 0.019 4.969 4.527 0.705 0.000 0.382 211 F C 0.836 176.366 175.800 -0.451 0.000 1.069 211 F CA 0.747 58.436 58.000 -0.519 0.000 1.138 211 F CB 1.039 39.485 39.000 -0.924 0.000 1.068 211 F HN 0.238 nan 8.300 nan 0.000 0.556 212 T N 2.360 116.796 114.554 -0.197 0.000 3.466 212 T HA 0.253 5.028 4.350 0.708 0.000 0.297 212 T C 0.556 175.340 174.700 0.141 0.000 1.640 212 T CA -0.338 61.765 62.100 0.004 0.000 1.631 212 T CB 0.410 69.263 68.868 -0.026 0.000 0.928 212 T HN 0.601 nan 8.240 nan 0.000 0.688 213 T N 0.034 114.611 114.554 0.039 0.000 2.638 213 T HA 0.519 5.294 4.350 0.708 0.000 0.169 213 T C 0.061 174.419 174.700 -0.571 0.000 0.790 213 T CA 0.049 62.033 62.100 -0.193 0.000 1.151 213 T CB 0.178 69.059 68.868 0.021 0.000 2.581 213 T HN 0.200 nan 8.240 nan 0.000 0.391 214 F N -0.768 119.042 119.950 -0.233 0.000 2.126 214 F HA 0.520 5.469 4.527 0.703 0.000 0.200 214 F C 1.062 176.436 175.800 -0.710 0.000 1.294 214 F CA -0.701 56.831 58.000 -0.780 0.000 1.267 214 F CB -0.199 38.200 39.000 -1.002 0.000 1.855 214 F HN 0.142 nan 8.300 nan 0.000 0.193 215 F N -1.837 118.164 119.950 0.084 0.000 2.653 215 F HA 0.266 5.219 4.527 0.710 0.000 0.288 215 F C -0.611 174.875 175.800 -0.523 0.000 1.121 215 F CA -0.531 57.319 58.000 -0.251 0.000 1.384 215 F CB -0.244 38.556 39.000 -0.334 0.000 1.115 215 F HN -0.112 nan 8.300 nan 0.000 0.599 216 Y N 0.705 121.150 120.300 0.242 0.000 2.346 216 Y HA 0.495 5.468 4.550 0.704 0.000 0.332 216 Y C -0.045 175.900 175.900 0.075 0.000 0.985 216 Y CA -1.854 56.338 58.100 0.153 0.000 1.112 216 Y CB 1.154 39.706 38.460 0.154 0.000 1.170 216 Y HN -0.210 nan 8.280 nan 0.000 0.447 217 Q N 3.794 123.694 119.800 0.168 0.000 2.332 217 Q HA 0.272 5.037 4.340 0.708 0.000 0.263 217 Q C -0.657 175.343 176.000 0.001 0.000 0.979 217 Q CA -0.512 55.302 55.803 0.017 0.000 0.885 217 Q CB 0.239 28.923 28.738 -0.091 0.000 1.218 217 Q HN 0.460 nan 8.270 nan 0.000 0.405 218 F N 0.870 120.857 119.950 0.062 0.000 2.545 218 F HA 0.286 5.276 4.527 0.773 0.000 0.348 218 F C 0.300 176.133 175.800 0.054 0.000 1.163 218 F CA -0.798 57.210 58.000 0.014 0.000 1.331 218 F CB -0.319 38.687 39.000 0.009 0.000 1.138 218 F HN 0.402 nan 8.300 nan 0.000 0.602 219 T N 4.864 119.575 114.554 0.261 0.000 2.750 219 T HA 0.250 5.025 4.350 0.708 0.000 0.277 219 T C -0.414 174.376 174.700 0.149 0.000 0.996 219 T CA 0.337 62.527 62.100 0.150 0.000 1.195 219 T CB -0.232 68.732 68.868 0.161 0.000 0.963 219 T HN 0.624 nan 8.240 nan 0.000 0.516 220 L N 6.079 127.306 121.223 0.006 0.000 2.595 220 L HA 0.459 5.224 4.340 0.708 0.000 0.259 220 L C -1.429 175.503 176.870 0.104 0.000 1.033 220 L CA -0.154 54.712 54.840 0.042 0.000 0.901 220 L CB 0.744 42.710 42.059 -0.154 0.000 1.151 220 L HN 0.559 nan 8.230 nan 0.000 0.453 221 L N 3.848 125.168 121.223 0.162 0.000 2.362 221 L HA 0.587 5.352 4.340 0.708 0.000 0.275 221 L C -0.773 176.327 176.870 0.382 0.000 0.998 221 L CA -0.546 54.422 54.840 0.213 0.000 0.820 221 L CB 1.725 43.821 42.059 0.062 0.000 1.270 221 L HN 0.259 nan 8.230 nan 0.000 0.415 222 F N 0.864 120.887 119.950 0.121 0.000 2.440 222 F HA 0.372 5.322 4.527 0.704 0.000 0.328 222 F C 0.529 176.440 175.800 0.184 0.000 1.070 222 F CA -1.008 57.057 58.000 0.108 0.000 1.011 222 F CB 1.285 40.331 39.000 0.077 0.000 1.226 222 F HN 0.521 nan 8.300 nan 0.000 0.491 223 D N -0.293 120.188 120.400 0.136 0.000 2.549 223 D HA 0.128 5.193 4.640 0.708 0.000 0.270 223 D C 0.783 177.149 176.300 0.111 0.000 1.181 223 D CA -0.419 53.621 54.000 0.066 0.000 1.070 223 D CB 0.165 40.911 40.800 -0.089 0.000 1.154 223 D HN 0.516 nan 8.370 nan 0.000 0.602 224 E N 0.190 120.441 120.200 0.085 0.000 2.338 224 E HA -0.202 4.573 4.350 0.708 0.000 0.197 224 E C 0.548 177.178 176.600 0.049 0.000 1.007 224 E CA 0.945 57.430 56.400 0.140 0.000 0.849 224 E CB -0.318 29.446 29.700 0.107 0.000 0.774 224 E HN 0.539 nan 8.360 nan 0.000 0.506 225 K N 0.883 121.257 120.400 -0.043 0.000 2.469 225 K HA 0.177 4.922 4.320 0.708 0.000 0.201 225 K C -0.147 176.349 176.600 -0.174 0.000 1.028 225 K CA 0.003 56.241 56.287 -0.081 0.000 1.170 225 K CB 0.049 32.506 32.500 -0.071 0.000 0.874 225 K HN 0.081 nan 8.250 nan 0.000 0.507 226 R N 0.133 120.425 120.500 -0.346 0.000 3.770 226 R HA -0.213 4.552 4.340 0.708 0.000 0.305 226 R C -0.646 175.530 176.300 -0.207 0.000 1.184 226 R CA 0.732 56.489 56.100 -0.571 0.000 0.823 226 R CB -2.212 27.752 30.300 -0.559 0.000 1.285 226 R HN 0.212 nan 8.270 nan 0.000 0.499 227 R N 1.206 121.534 120.500 -0.287 0.000 2.643 227 R HA 0.287 5.052 4.340 0.708 0.000 0.272 227 R C 0.149 175.813 176.300 -1.061 0.000 0.995 227 R CA -0.992 54.823 56.100 -0.475 0.000 1.032 227 R CB 0.877 30.996 30.300 -0.301 0.000 1.126 227 R HN 0.152 nan 8.270 nan 0.000 0.505 228 E N 1.787 121.200 120.200 -1.312 0.000 2.414 228 E HA -0.105 4.669 4.350 0.708 0.000 0.263 228 E C 0.142 176.435 176.600 -0.511 0.000 1.000 228 E CA 0.352 56.029 56.400 -1.204 0.000 0.914 228 E CB 0.798 30.097 29.700 -0.668 0.000 0.948 228 E HN 0.448 nan 8.360 nan 0.000 0.444 229 K N 2.883 123.102 120.400 -0.301 0.000 2.325 229 K HA 0.136 4.880 4.320 0.708 0.000 0.203 229 K C -0.500 176.041 176.600 -0.099 0.000 1.128 229 K CA 0.283 56.481 56.287 -0.149 0.000 0.931 229 K CB 0.862 33.326 32.500 -0.059 0.000 1.125 229 K HN 0.362 nan 8.250 nan 0.000 0.487 230 V N 1.596 121.462 119.914 -0.079 0.000 2.686 230 V HA 0.465 5.010 4.120 0.708 0.000 0.306 230 V C -1.256 174.832 176.094 -0.010 0.000 1.065 230 V CA -0.953 61.294 62.300 -0.090 0.000 0.894 230 V CB 1.692 33.335 31.823 -0.299 0.000 1.004 230 V HN -0.022 nan 8.190 nan 0.000 0.424 231 V N 3.030 122.972 119.914 0.048 0.000 2.888 231 V HA 0.809 5.354 4.120 0.708 0.000 0.309 231 V C -2.034 174.176 176.094 0.192 0.000 1.114 231 V CA -0.149 62.242 62.300 0.151 0.000 0.940 231 V CB 2.310 34.227 31.823 0.158 0.000 1.021 231 V HN 1.028 nan 8.190 nan 0.000 0.426 232 D N 4.122 124.691 120.400 0.281 0.000 2.613 232 D HA 0.145 5.210 4.640 0.708 0.000 0.230 232 D C -0.058 176.371 176.300 0.215 0.000 1.365 232 D CA -0.418 53.743 54.000 0.268 0.000 0.976 232 D CB 1.236 42.211 40.800 0.292 0.000 1.415 232 D HN 0.588 nan 8.370 nan 0.000 0.589 233 W N 4.051 125.155 121.300 -0.328 0.000 2.468 233 W HA -0.035 4.936 4.660 0.518 0.000 0.262 233 W C 0.608 176.812 176.519 -0.526 0.000 1.241 233 W CA 0.879 57.722 57.345 -0.838 0.000 1.232 233 W CB -0.152 28.697 29.460 -1.019 0.000 1.124 233 W HN 0.384 nan 8.180 nan 0.000 0.597 234 F N -0.386 119.626 119.950 0.104 0.000 2.695 234 F HA 0.412 5.077 4.527 0.230 0.000 0.303 234 F C 1.694 177.427 175.800 -0.111 0.000 1.091 234 F CA -0.032 57.887 58.000 -0.134 0.000 1.300 234 F CB -0.894 38.023 39.000 -0.138 0.000 1.071 234 F HN -0.252 nan 8.300 nan 0.000 0.578 235 G N -0.487 108.410 108.800 0.161 0.000 2.442 235 G HA2 0.202 4.586 3.960 0.708 0.000 0.249 235 G HA3 0.202 4.586 3.960 0.708 0.000 0.249 235 G C 0.158 175.141 174.900 0.139 0.000 1.263 235 G CA -0.275 44.939 45.100 0.189 0.000 0.846 235 G HN 0.380 nan 8.290 nan 0.000 0.555 236 C N 2.546 121.946 119.300 0.168 0.000 2.688 236 C HA 0.371 5.256 4.460 0.708 0.000 0.297 236 C C 2.529 177.640 174.990 0.201 0.000 1.308 236 C CA -0.000 59.138 59.018 0.201 0.000 1.726 236 C CB -1.108 26.828 27.740 0.326 0.000 1.982 236 C HN 0.875 nan 8.230 nan 0.000 0.604 237 A N -0.499 122.422 122.820 0.169 0.000 1.902 237 A HA -0.184 4.560 4.320 0.708 0.000 0.217 237 A C 1.474 179.060 177.584 0.003 0.000 1.181 237 A CA 1.583 53.694 52.037 0.124 0.000 0.623 237 A CB -0.601 18.480 19.000 0.135 0.000 0.818 237 A HN 0.636 nan 8.150 nan 0.000 0.443 238 C N 0.804 120.124 119.300 0.035 0.000 2.439 238 C HA 0.405 5.290 4.460 0.708 0.000 0.411 238 C C 1.658 176.705 174.990 0.096 0.000 1.337 238 C CA 0.494 59.531 59.018 0.031 0.000 1.716 238 C CB -1.905 25.866 27.740 0.051 0.000 2.332 238 C HN 0.700 nan 8.230 nan 0.000 0.594 239 T N -3.794 110.752 114.554 -0.014 0.000 3.192 239 T HA 0.228 5.003 4.350 0.708 0.000 0.295 239 T C 0.097 174.763 174.700 -0.056 0.000 0.947 239 T CA 0.079 62.094 62.100 -0.142 0.000 0.916 239 T CB -0.440 68.336 68.868 -0.153 0.000 1.169 239 T HN 0.292 nan 8.240 nan 0.000 0.540 240 V N 0.530 120.346 119.914 -0.165 0.000 2.966 240 V HA 1.013 5.558 4.120 0.708 0.000 0.317 240 V C -0.308 175.668 176.094 -0.195 0.000 1.070 240 V CA -0.366 61.771 62.300 -0.271 0.000 1.008 240 V CB 1.421 32.785 31.823 -0.766 0.000 1.070 240 V HN 0.796 nan 8.190 nan 0.000 0.457 241 S N 0.322 115.911 115.700 -0.186 0.000 2.587 241 S HA 0.583 5.478 4.470 0.708 0.000 0.269 241 S C -2.613 171.906 174.600 -0.134 0.000 1.154 241 S CA -0.731 57.395 58.200 -0.124 0.000 0.824 241 S CB 1.211 64.443 63.200 0.053 0.000 1.118 241 S HN 0.452 nan 8.310 nan 0.000 0.462 242 P HA -0.065 nan 4.420 nan 0.000 0.215 242 P C 1.581 178.936 177.300 0.093 0.000 1.153 242 P CA 1.155 64.081 63.100 -0.290 0.000 0.853 242 P CB 0.046 31.378 31.700 -0.615 0.000 0.788 243 R N 0.271 120.861 120.500 0.149 0.000 2.075 243 R HA 0.017 4.782 4.340 0.708 0.000 0.232 243 R C 2.053 178.502 176.300 0.247 0.000 1.126 243 R CA 1.826 58.079 56.100 0.255 0.000 0.963 243 R CB -1.494 29.017 30.300 0.351 0.000 0.858 243 R HN 0.041 nan 8.270 nan 0.000 0.435 244 A N 0.411 123.245 122.820 0.023 0.000 1.930 244 A HA -0.046 4.699 4.320 0.708 0.000 0.217 244 A C 2.209 179.914 177.584 0.202 0.000 1.175 244 A CA 1.357 53.331 52.037 -0.106 0.000 0.627 244 A CB -0.558 18.099 19.000 -0.571 0.000 0.815 244 A HN 0.343 nan 8.150 nan 0.000 0.443 245 L N -0.422 120.925 121.223 0.208 0.000 2.046 245 L HA -0.190 4.575 4.340 0.708 0.000 0.208 245 L C 2.044 179.063 176.870 0.249 0.000 1.077 245 L CA 1.444 56.424 54.840 0.233 0.000 0.747 245 L CB -0.662 41.522 42.059 0.208 0.000 0.896 245 L HN 0.275 nan 8.230 nan 0.000 0.432 246 D N -0.099 120.459 120.400 0.265 0.000 2.117 246 D HA -0.168 4.897 4.640 0.708 0.000 0.198 246 D C 1.804 178.220 176.300 0.193 0.000 0.982 246 D CA 1.129 55.267 54.000 0.231 0.000 0.828 246 D CB -0.248 40.703 40.800 0.251 0.000 0.967 246 D HN 0.274 nan 8.370 nan 0.000 0.464 247 D N -0.150 120.385 120.400 0.224 0.000 2.117 247 D HA -0.131 4.934 4.640 0.708 0.000 0.197 247 D C 1.817 178.177 176.300 0.100 0.000 0.987 247 D CA 0.324 54.460 54.000 0.226 0.000 0.829 247 D CB -0.503 40.550 40.800 0.422 0.000 0.961 247 D HN 0.200 nan 8.370 nan 0.000 0.460 248 F N 1.795 121.593 119.950 -0.253 0.000 2.095 248 F HA -0.212 4.740 4.527 0.708 0.000 0.298 248 F C 2.321 178.043 175.800 -0.129 0.000 1.104 248 F CA 1.855 59.564 58.000 -0.484 0.000 1.232 248 F CB -0.032 38.594 39.000 -0.623 0.000 0.987 248 F HN -0.093 nan 8.300 nan 0.000 0.475 249 E N 0.262 120.558 120.200 0.160 0.000 2.085 249 E HA -0.257 4.518 4.350 0.708 0.000 0.194 249 E C 2.241 178.830 176.600 -0.017 0.000 0.994 249 E CA 1.161 57.609 56.400 0.079 0.000 0.801 249 E CB -0.377 29.399 29.700 0.128 0.000 0.743 249 E HN 0.500 nan 8.360 nan 0.000 0.453 250 A N 0.920 123.746 122.820 0.009 0.000 1.933 250 A HA -0.196 4.549 4.320 0.708 0.000 0.218 250 A C 2.018 179.562 177.584 -0.067 0.000 1.175 250 A CA 1.763 53.799 52.037 -0.002 0.000 0.628 250 A CB -0.280 18.743 19.000 0.038 0.000 0.814 250 A HN 0.164 nan 8.150 nan 0.000 0.444 251 K N -2.250 118.077 120.400 -0.123 0.000 2.186 251 K HA 0.030 4.774 4.320 0.708 0.000 0.202 251 K C 1.366 177.673 176.600 -0.488 0.000 1.052 251 K CA 1.197 57.333 56.287 -0.252 0.000 0.965 251 K CB -0.105 32.273 32.500 -0.203 0.000 0.746 251 K HN 0.626 nan 8.250 nan 0.000 0.457 252 Y N -0.709 119.297 120.300 -0.491 0.000 2.481 252 Y HA 0.168 5.143 4.550 0.709 0.000 0.258 252 Y C 1.349 177.143 175.900 -0.178 0.000 1.103 252 Y CA 0.352 58.160 58.100 -0.487 0.000 1.287 252 Y CB 1.216 38.970 38.460 -1.176 0.000 1.108 252 Y HN 0.195 nan 8.280 nan 0.000 0.529 253 G N 0.136 108.911 108.800 -0.041 0.000 2.143 253 G HA2 -0.316 4.069 3.960 0.708 0.000 0.249 253 G HA3 -0.316 4.069 3.960 0.708 0.000 0.249 253 G C -0.308 174.727 174.900 0.226 0.000 0.981 253 G CA 0.448 45.596 45.100 0.080 0.000 0.665 253 G HN 0.532 nan 8.290 nan 0.000 0.528 254 Y N -2.449 117.919 120.300 0.113 0.000 2.609 254 Y HA 0.812 5.786 4.550 0.706 0.000 0.336 254 Y C -0.407 175.636 175.900 0.239 0.000 1.129 254 Y CA -1.886 56.303 58.100 0.149 0.000 1.040 254 Y CB 0.931 39.475 38.460 0.140 0.000 1.310 254 Y HN 0.200 nan 8.280 nan 0.000 0.460 255 R N 2.732 123.394 120.500 0.269 0.000 2.265 255 R HA 0.566 5.331 4.340 0.708 0.000 0.319 255 R C -1.294 175.119 176.300 0.188 0.000 1.006 255 R CA -0.614 55.592 56.100 0.178 0.000 0.880 255 R CB 0.707 31.087 30.300 0.133 0.000 1.077 255 R HN 0.893 nan 8.270 nan 0.000 0.454 256 L N 4.935 126.183 121.223 0.042 0.000 2.416 256 L HA 0.254 5.018 4.340 0.708 0.000 0.272 256 L C 0.751 177.616 176.870 -0.008 0.000 1.161 256 L CA 0.046 54.856 54.840 -0.051 0.000 0.845 256 L CB 0.638 42.516 42.059 -0.302 0.000 1.119 256 L HN 0.552 nan 8.230 nan 0.000 0.464 257 R N 3.641 124.114 120.500 -0.046 0.000 2.582 257 R HA 0.146 4.911 4.340 0.708 0.000 0.271 257 R C -1.505 174.667 176.300 -0.214 0.000 1.078 257 R CA -1.498 54.553 56.100 -0.082 0.000 1.127 257 R CB 0.283 30.536 30.300 -0.079 0.000 1.038 257 R HN 0.344 nan 8.270 nan 0.000 0.500 258 P HA -0.215 nan 4.420 nan 0.000 0.217 258 P C 0.726 177.716 177.300 -0.515 0.000 1.148 258 P CA 1.206 63.735 63.100 -0.952 0.000 0.828 258 P CB 0.266 31.492 31.700 -0.789 0.000 0.783 259 E N -0.133 119.883 120.200 -0.306 0.000 2.209 259 E HA -0.191 4.584 4.350 0.708 0.000 0.196 259 E C 1.348 177.797 176.600 -0.253 0.000 0.993 259 E CA 1.195 57.454 56.400 -0.235 0.000 0.819 259 E CB -0.950 28.654 29.700 -0.160 0.000 0.745 259 E HN 0.207 nan 8.360 nan 0.000 0.477 260 D N -1.337 118.881 120.400 -0.304 0.000 2.371 260 D HA -0.090 4.974 4.640 0.708 0.000 0.221 260 D C 0.791 176.678 176.300 -0.689 0.000 0.986 260 D CA 0.621 54.350 54.000 -0.451 0.000 0.899 260 D CB 0.076 40.566 40.800 -0.515 0.000 0.902 260 D HN 0.292 nan 8.370 nan 0.000 0.530 261 F N -0.391 119.351 119.950 -0.346 0.000 2.537 261 F HA -0.035 4.915 4.527 0.705 0.000 0.277 261 F C 2.321 177.965 175.800 -0.261 0.000 1.013 261 F CA 0.018 57.849 58.000 -0.280 0.000 1.332 261 F CB -0.542 38.308 39.000 -0.250 0.000 1.108 261 F HN -0.193 nan 8.300 nan 0.000 0.679 262 V N -1.862 117.937 119.914 -0.192 0.000 2.667 262 V HA -0.075 4.470 4.120 0.708 0.000 0.252 262 V C 0.664 176.486 176.094 -0.454 0.000 1.065 262 V CA 1.341 63.339 62.300 -0.504 0.000 1.083 262 V CB -0.787 30.745 31.823 -0.484 0.000 0.692 262 V HN 0.493 nan 8.190 nan 0.000 0.468 263 D N 0.819 121.056 120.400 -0.270 0.000 2.689 263 D HA -0.101 4.964 4.640 0.708 0.000 0.237 263 D C 1.186 177.387 176.300 -0.164 0.000 1.148 263 D CA 1.508 55.397 54.000 -0.184 0.000 0.656 263 D CB -1.544 39.182 40.800 -0.122 0.000 1.050 263 D HN 1.588 nan 8.370 nan 0.000 0.426 264 G N -0.951 107.743 108.800 -0.176 0.000 2.166 264 G HA2 -0.020 4.365 3.960 0.708 0.000 0.260 264 G HA3 -0.020 4.365 3.960 0.708 0.000 0.260 264 G C 1.453 176.280 174.900 -0.121 0.000 0.986 264 G CA 0.921 45.946 45.100 -0.126 0.000 0.683 264 G HN 1.789 nan 8.290 nan 0.000 0.527 265 G N -1.909 106.763 108.800 -0.214 0.000 2.184 265 G HA2 0.176 4.561 3.960 0.708 0.000 0.206 265 G HA3 0.176 4.561 3.960 0.708 0.000 0.206 265 G C 1.290 176.194 174.900 0.007 0.000 0.995 265 G CA 1.144 46.160 45.100 -0.139 0.000 0.651 265 G HN 1.972 nan 8.290 nan 0.000 0.511 266 A N -0.420 122.388 122.820 -0.020 0.000 2.123 266 A HA 0.498 5.243 4.320 0.708 0.000 0.214 266 A C 1.340 179.062 177.584 0.231 0.000 1.152 266 A CA 1.488 53.592 52.037 0.111 0.000 0.728 266 A CB -0.414 18.630 19.000 0.075 0.000 0.814 266 A HN 1.417 nan 8.150 nan 0.000 0.464 267 Y N -0.638 119.698 120.300 0.061 0.000 3.396 267 Y HA -0.280 4.693 4.550 0.706 0.000 0.214 267 Y C 0.664 176.621 175.900 0.096 0.000 1.203 267 Y CA 0.655 58.800 58.100 0.076 0.000 1.401 267 Y CB -2.458 36.059 38.460 0.094 0.000 1.409 267 Y HN 0.588 nan 8.280 nan 0.000 0.594 268 N N -1.719 117.074 118.700 0.155 0.000 2.725 268 N HA -0.210 4.955 4.740 0.708 0.000 0.249 268 N C 0.327 175.984 175.510 0.245 0.000 1.103 268 N CA 1.168 54.312 53.050 0.157 0.000 0.707 268 N CB -1.115 37.440 38.487 0.113 0.000 1.043 268 N HN 0.617 nan 8.380 nan 0.000 0.553 269 S N -0.550 115.315 115.700 0.276 0.000 2.643 269 S HA 0.120 5.014 4.470 0.708 0.000 0.310 269 S C 1.669 176.513 174.600 0.407 0.000 1.253 269 S CA 0.445 58.855 58.200 0.350 0.000 1.047 269 S CB 0.677 64.077 63.200 0.334 0.000 0.767 269 S HN 0.442 nan 8.310 nan 0.000 0.498 270 A N 4.540 127.639 122.820 0.466 0.000 2.178 270 A HA -0.024 4.721 4.320 0.708 0.000 0.218 270 A C 1.434 179.249 177.584 0.384 0.000 1.157 270 A CA 1.121 53.389 52.037 0.385 0.000 0.689 270 A CB -0.701 18.351 19.000 0.086 0.000 0.787 270 A HN 0.978 nan 8.150 nan 0.000 0.465 271 W N 0.432 121.884 121.300 0.254 0.000 2.584 271 W HA 0.116 5.183 4.660 0.680 0.000 0.264 271 W C 1.007 177.520 176.519 -0.010 0.000 1.264 271 W CA 0.059 57.487 57.345 0.138 0.000 1.306 271 W CB 0.074 29.729 29.460 0.325 0.000 1.110 271 W HN 0.055 nan 8.180 nan 0.000 0.606 272 R N 0.923 121.579 120.500 0.261 0.000 2.590 272 R HA 0.089 4.854 4.340 0.708 0.000 0.274 272 R C -0.123 176.146 176.300 -0.051 0.000 1.061 272 R CA -0.162 56.004 56.100 0.110 0.000 1.081 272 R CB 0.407 30.775 30.300 0.113 0.000 0.984 272 R HN -0.246 nan 8.270 nan 0.000 0.448 273 V N 6.032 125.877 119.914 -0.116 0.000 2.493 273 V HA 0.022 4.567 4.120 0.708 0.000 0.292 273 V C -1.675 174.259 176.094 -0.267 0.000 1.016 273 V CA -0.954 61.200 62.300 -0.243 0.000 1.097 273 V CB 0.427 32.135 31.823 -0.192 0.000 0.947 273 V HN 0.612 nan 8.190 nan 0.000 0.479 274 P HA 0.283 nan 4.420 nan 0.000 0.271 274 P C -0.359 176.783 177.300 -0.263 0.000 1.216 274 P CA -0.106 62.748 63.100 -0.410 0.000 0.776 274 P CB 0.629 31.806 31.700 -0.872 0.000 0.881 275 R N 1.426 121.830 120.500 -0.159 0.000 2.643 275 R HA 0.299 5.064 4.340 0.708 0.000 0.272 275 R C 1.521 177.767 176.300 -0.089 0.000 0.995 275 R CA -0.881 55.143 56.100 -0.127 0.000 1.032 275 R CB 1.115 31.348 30.300 -0.111 0.000 1.126 275 R HN 0.410 nan 8.270 nan 0.000 0.505 276 K N 1.442 121.798 120.400 -0.073 0.000 2.063 276 K HA -0.192 4.553 4.320 0.708 0.000 0.208 276 K C 1.750 178.385 176.600 0.058 0.000 1.048 276 K CA 1.859 58.137 56.287 -0.015 0.000 0.928 276 K CB -0.150 32.329 32.500 -0.035 0.000 0.713 276 K HN 0.691 nan 8.250 nan 0.000 0.442 277 A N 1.094 123.932 122.820 0.030 0.000 1.940 277 A HA -0.243 4.502 4.320 0.708 0.000 0.219 277 A C 1.997 179.568 177.584 -0.021 0.000 1.176 277 A CA 1.672 53.740 52.037 0.052 0.000 0.631 277 A CB -0.493 18.464 19.000 -0.073 0.000 0.814 277 A HN 0.510 nan 8.150 nan 0.000 0.446 278 Q N -0.958 118.823 119.800 -0.032 0.000 2.079 278 Q HA -0.112 4.653 4.340 0.708 0.000 0.200 278 Q C 2.393 178.484 176.000 0.152 0.000 0.974 278 Q CA 1.341 57.164 55.803 0.033 0.000 0.840 278 Q CB -0.125 28.653 28.738 0.068 0.000 0.898 278 Q HN 0.641 nan 8.270 nan 0.000 0.430 279 R N 0.496 121.073 120.500 0.129 0.000 2.075 279 R HA -0.108 4.657 4.340 0.708 0.000 0.232 279 R C 1.703 178.115 176.300 0.187 0.000 1.126 279 R CA 1.289 57.486 56.100 0.161 0.000 0.963 279 R CB -0.124 30.238 30.300 0.102 0.000 0.858 279 R HN 0.254 nan 8.270 nan 0.000 0.435 280 D N 0.100 120.620 120.400 0.199 0.000 2.123 280 D HA -0.239 4.826 4.640 0.708 0.000 0.196 280 D C 1.491 177.913 176.300 0.203 0.000 0.992 280 D CA 0.838 54.956 54.000 0.196 0.000 0.833 280 D CB -0.341 40.618 40.800 0.264 0.000 0.954 280 D HN 0.341 nan 8.370 nan 0.000 0.455 281 W N 1.214 122.528 121.300 0.024 0.000 2.358 281 W HA -0.181 4.900 4.660 0.701 0.000 0.303 281 W C 1.766 178.382 176.519 0.160 0.000 1.208 281 W CA 0.578 57.946 57.345 0.039 0.000 1.274 281 W CB -0.103 29.276 29.460 -0.134 0.000 1.138 281 W HN -0.094 nan 8.180 nan 0.000 0.515 282 I N 1.291 121.971 120.570 0.182 0.000 2.163 282 I HA -0.323 4.272 4.170 0.708 0.000 0.243 282 I C 1.979 178.125 176.117 0.049 0.000 1.085 282 I CA 1.918 63.270 61.300 0.087 0.000 1.347 282 I CB -1.597 36.484 38.000 0.135 0.000 1.044 282 I HN -0.045 nan 8.210 nan 0.000 0.408 283 D N 0.283 120.759 120.400 0.127 0.000 2.123 283 D HA -0.227 4.838 4.640 0.708 0.000 0.196 283 D C 2.038 178.441 176.300 0.171 0.000 0.992 283 D CA 1.065 55.163 54.000 0.164 0.000 0.833 283 D CB -0.538 40.416 40.800 0.255 0.000 0.954 283 D HN 0.284 nan 8.370 nan 0.000 0.455 284 F N 1.199 121.153 119.950 0.008 0.000 2.075 284 F HA -0.169 4.782 4.527 0.706 0.000 0.297 284 F C 2.110 177.814 175.800 -0.161 0.000 1.113 284 F CA 0.952 58.927 58.000 -0.040 0.000 1.218 284 F CB -0.530 38.352 39.000 -0.196 0.000 0.984 284 F HN -0.100 nan 8.300 nan 0.000 0.472 285 L N -0.330 120.597 121.223 -0.493 0.000 2.056 285 L HA -0.129 4.636 4.340 0.708 0.000 0.207 285 L C 2.701 179.480 176.870 -0.151 0.000 1.078 285 L CA 2.004 56.540 54.840 -0.506 0.000 0.749 285 L CB -1.239 40.519 42.059 -0.502 0.000 0.901 285 L HN 0.294 nan 8.230 nan 0.000 0.433 286 S N -0.832 114.819 115.700 -0.082 0.000 2.368 286 S HA -0.137 4.758 4.470 0.708 0.000 0.225 286 S C 2.032 176.636 174.600 0.006 0.000 1.030 286 S CA 1.189 59.388 58.200 -0.001 0.000 0.999 286 S CB -0.745 62.466 63.200 0.019 0.000 0.844 286 S HN 0.650 nan 8.310 nan 0.000 0.459 287 G N 0.454 109.252 108.800 -0.003 0.000 2.476 287 G HA2 -0.257 4.128 3.960 0.708 0.000 0.218 287 G HA3 -0.257 4.128 3.960 0.708 0.000 0.218 287 G C 1.274 176.169 174.900 -0.007 0.000 1.164 287 G CA 1.116 46.215 45.100 -0.001 0.000 0.768 287 G HN 0.570 nan 8.290 nan 0.000 0.560 288 F N 1.086 120.934 119.950 -0.169 0.000 2.084 288 F HA -0.042 4.909 4.527 0.705 0.000 0.296 288 F C 2.755 178.520 175.800 -0.059 0.000 1.111 288 F CA 1.544 59.460 58.000 -0.139 0.000 1.224 288 F CB -0.468 38.427 39.000 -0.175 0.000 0.991 288 F HN 0.001 nan 8.300 nan 0.000 0.471 289 V N 1.182 121.127 119.914 0.051 0.000 2.287 289 V HA -0.337 4.208 4.120 0.708 0.000 0.248 289 V C 2.581 178.622 176.094 -0.088 0.000 1.053 289 V CA 2.435 64.769 62.300 0.057 0.000 1.027 289 V CB -0.715 31.264 31.823 0.260 0.000 0.646 289 V HN 0.304 nan 8.190 nan 0.000 0.447 290 R N -0.498 119.948 120.500 -0.089 0.000 2.075 290 R HA -0.188 4.577 4.340 0.708 0.000 0.232 290 R C 2.416 178.606 176.300 -0.184 0.000 1.126 290 R CA 1.644 57.666 56.100 -0.129 0.000 0.963 290 R CB -0.341 29.918 30.300 -0.067 0.000 0.858 290 R HN 0.668 nan 8.270 nan 0.000 0.435 291 E N 0.787 120.871 120.200 -0.193 0.000 2.070 291 E HA -0.232 4.543 4.350 0.708 0.000 0.197 291 E C 1.491 177.938 176.600 -0.255 0.000 1.004 291 E CA 1.475 57.744 56.400 -0.218 0.000 0.805 291 E CB 0.034 29.601 29.700 -0.221 0.000 0.744 291 E HN 0.313 nan 8.360 nan 0.000 0.451 292 N N -0.131 118.372 118.700 -0.328 0.000 2.354 292 N HA -0.094 5.071 4.740 0.708 0.000 0.179 292 N C 1.915 177.429 175.510 0.007 0.000 1.021 292 N CA 0.886 53.819 53.050 -0.195 0.000 0.887 292 N CB 0.173 38.300 38.487 -0.599 0.000 0.974 292 N HN 0.087 nan 8.380 nan 0.000 0.437 293 V N 1.878 121.695 119.914 -0.162 0.000 2.295 293 V HA -0.206 4.339 4.120 0.708 0.000 0.246 293 V C 2.505 178.339 176.094 -0.432 0.000 1.049 293 V CA 1.474 63.420 62.300 -0.589 0.000 1.024 293 V CB -0.424 30.828 31.823 -0.951 0.000 0.648 293 V HN 0.284 nan 8.190 nan 0.000 0.447 294 K N -0.275 119.946 120.400 -0.299 0.000 2.103 294 K HA -0.273 4.472 4.320 0.708 0.000 0.207 294 K C 2.287 178.786 176.600 -0.169 0.000 1.048 294 K CA 1.870 58.022 56.287 -0.225 0.000 0.930 294 K CB -0.124 32.269 32.500 -0.178 0.000 0.716 294 K HN 0.523 nan 8.250 nan 0.000 0.444 295 Q N 0.518 120.230 119.800 -0.146 0.000 2.050 295 Q HA -0.154 4.611 4.340 0.708 0.000 0.202 295 Q C 2.146 178.158 176.000 0.020 0.000 0.980 295 Q CA 1.490 57.227 55.803 -0.111 0.000 0.840 295 Q CB -0.038 28.529 28.738 -0.286 0.000 0.898 295 Q HN 0.364 nan 8.270 nan 0.000 0.424 296 L N -0.036 121.210 121.223 0.039 0.000 2.083 296 L HA -0.197 4.568 4.340 0.708 0.000 0.209 296 L C 2.523 179.360 176.870 -0.054 0.000 1.083 296 L CA 1.034 55.843 54.840 -0.053 0.000 0.752 296 L CB -0.567 41.181 42.059 -0.518 0.000 0.899 296 L HN 0.297 nan 8.230 nan 0.000 0.433 297 A N -0.182 122.514 122.820 -0.207 0.000 1.873 297 A HA -0.217 4.528 4.320 0.708 0.000 0.215 297 A C 1.937 179.269 177.584 -0.421 0.000 1.186 297 A CA 1.852 53.700 52.037 -0.315 0.000 0.616 297 A CB -0.505 18.312 19.000 -0.304 0.000 0.823 297 A HN 0.339 nan 8.150 nan 0.000 0.442 298 D N -0.241 120.062 120.400 -0.162 0.000 2.104 298 D HA -0.169 4.896 4.640 0.708 0.000 0.194 298 D C 2.015 178.332 176.300 0.029 0.000 0.994 298 D CA 1.582 55.567 54.000 -0.025 0.000 0.830 298 D CB -0.388 40.406 40.800 -0.011 0.000 0.959 298 D HN 0.495 nan 8.370 nan 0.000 0.452 299 M N 0.396 120.044 119.600 0.081 0.000 2.117 299 M HA -0.133 4.772 4.480 0.708 0.000 0.262 299 M C 2.360 178.754 176.300 0.156 0.000 1.065 299 M CA 0.999 56.391 55.300 0.153 0.000 1.114 299 M CB -0.086 32.700 32.600 0.310 0.000 1.361 299 M HN -0.123 nan 8.290 nan 0.000 0.408 300 S N -0.516 115.320 115.700 0.227 0.000 2.353 300 S HA -0.196 4.699 4.470 0.708 0.000 0.222 300 S C 1.614 176.300 174.600 0.144 0.000 1.035 300 S CA 1.476 59.795 58.200 0.199 0.000 1.025 300 S CB -0.791 62.547 63.200 0.230 0.000 0.902 300 S HN 0.575 nan 8.310 nan 0.000 0.440 301 H N 1.032 120.175 119.070 0.122 0.000 2.353 301 H HA 0.004 4.984 4.556 0.707 0.000 0.300 301 H C 2.428 177.782 175.328 0.044 0.000 1.090 301 H CA 0.870 56.961 56.048 0.071 0.000 1.327 301 H CB -0.189 29.605 29.762 0.053 0.000 1.383 301 H HN 0.450 nan 8.280 nan 0.000 0.508 302 A N 0.942 123.855 122.820 0.155 0.000 2.070 302 A HA -0.024 4.721 4.320 0.708 0.000 0.220 302 A C 2.264 179.876 177.584 0.046 0.000 1.159 302 A CA 1.264 53.348 52.037 0.078 0.000 0.656 302 A CB -0.464 18.566 19.000 0.049 0.000 0.800 302 A HN 0.468 nan 8.150 nan 0.000 0.453 303 A N -1.723 121.124 122.820 0.045 0.000 2.307 303 A HA 0.449 5.193 4.320 0.708 0.000 0.218 303 A C 1.574 179.170 177.584 0.020 0.000 1.228 303 A CA 0.949 52.989 52.037 0.004 0.000 0.857 303 A CB -0.879 18.096 19.000 -0.041 0.000 0.897 303 A HN 1.820 nan 8.150 nan 0.000 0.495 304 G N -0.137 108.699 108.800 0.059 0.000 2.176 304 G HA2 -0.243 4.142 3.960 0.708 0.000 0.252 304 G HA3 -0.243 4.142 3.960 0.708 0.000 0.252 304 G C -0.024 174.923 174.900 0.079 0.000 1.024 304 G CA 0.655 45.791 45.100 0.060 0.000 0.755 304 G HN 0.597 nan 8.290 nan 0.000 0.507 305 K N -0.224 120.250 120.400 0.123 0.000 2.328 305 K HA 0.535 5.280 4.320 0.708 0.000 0.246 305 K C -0.004 176.732 176.600 0.226 0.000 0.955 305 K CA -0.885 55.484 56.287 0.136 0.000 0.817 305 K CB 1.987 34.553 32.500 0.109 0.000 1.208 305 K HN 0.282 nan 8.250 nan 0.000 0.432 306 E N 0.601 120.914 120.200 0.188 0.000 2.319 306 E HA 0.332 5.107 4.350 0.708 0.000 0.268 306 E C -0.855 175.853 176.600 0.179 0.000 1.050 306 E CA -0.643 55.895 56.400 0.230 0.000 0.878 306 E CB 1.438 31.250 29.700 0.188 0.000 1.066 306 E HN 0.547 nan 8.360 nan 0.000 0.406 307 A N 3.405 126.352 122.820 0.211 0.000 2.258 307 A HA 0.461 5.206 4.320 0.708 0.000 0.316 307 A C -0.587 177.095 177.584 0.164 0.000 1.279 307 A CA -0.461 51.723 52.037 0.244 0.000 0.876 307 A CB 0.359 19.478 19.000 0.199 0.000 1.170 307 A HN 0.639 nan 8.150 nan 0.000 0.520 308 M N 4.130 123.810 119.600 0.133 0.000 2.393 308 M HA 0.646 5.551 4.480 0.708 0.000 0.316 308 M C -1.072 175.297 176.300 0.114 0.000 1.087 308 M CA -0.582 54.730 55.300 0.020 0.000 0.937 308 M CB 1.623 34.136 32.600 -0.145 0.000 1.668 308 M HN 0.802 nan 8.290 nan 0.000 0.438 309 M N 4.874 124.535 119.600 0.101 0.000 2.227 309 M HA 0.403 5.308 4.480 0.708 0.000 0.335 309 M C -1.749 174.604 176.300 0.089 0.000 1.053 309 M CA -0.692 54.654 55.300 0.077 0.000 0.973 309 M CB 1.310 34.064 32.600 0.256 0.000 1.623 309 M HN 0.780 nan 8.290 nan 0.000 0.434 310 F N 5.822 125.712 119.950 -0.100 0.000 2.467 310 F HA 0.299 5.264 4.527 0.730 0.000 0.362 310 F C -0.807 174.952 175.800 -0.069 0.000 1.090 310 F CA -0.635 57.320 58.000 -0.075 0.000 1.202 310 F CB 0.636 39.591 39.000 -0.075 0.000 1.113 310 F HN 0.577 nan 8.300 nan 0.000 0.541 311 L N 7.471 128.283 121.223 -0.684 0.000 2.395 311 L HA 0.557 5.321 4.340 0.708 0.000 0.268 311 L C 0.086 176.166 176.870 -1.317 0.000 1.223 311 L CA 0.744 55.107 54.840 -0.796 0.000 1.093 311 L CB -0.912 40.858 42.059 -0.482 0.000 1.349 311 L HN 0.845 nan 8.230 nan 0.000 0.427 312 G N 1.508 109.561 108.800 -1.244 0.000 2.343 312 G HA2 0.240 4.625 3.960 0.708 0.000 0.289 312 G HA3 0.240 4.625 3.960 0.708 0.000 0.289 312 G C -0.776 174.141 174.900 0.029 0.000 1.295 312 G CA -0.176 44.427 45.100 -0.827 0.000 0.869 312 G HN 0.323 nan 8.290 nan 0.000 0.522 313 D N -0.733 120.010 120.400 0.572 0.000 3.740 313 D HA -0.202 4.863 4.640 0.708 0.000 0.147 313 D C 1.197 177.761 176.300 0.441 0.000 0.885 313 D CA 2.071 56.384 54.000 0.521 0.000 1.051 313 D CB -0.685 40.362 40.800 0.412 0.000 0.480 313 D HN 0.630 nan 8.370 nan 0.000 0.469 314 Q N 1.075 121.033 119.800 0.263 0.000 3.179 314 Q HA 0.135 4.899 4.340 0.708 0.000 0.328 314 Q C 0.674 176.829 176.000 0.260 0.000 1.336 314 Q CA -0.134 55.786 55.803 0.195 0.000 0.939 314 Q CB -0.555 28.228 28.738 0.074 0.000 1.658 314 Q HN 0.525 nan 8.270 nan 0.000 0.486 315 W N -0.429 120.896 121.300 0.040 0.000 3.220 315 W HA 0.270 5.332 4.660 0.670 0.000 0.328 315 W C -0.821 175.723 176.519 0.040 0.000 1.205 315 W CA -0.556 56.797 57.345 0.013 0.000 1.773 315 W CB 0.073 29.447 29.460 -0.143 0.000 1.086 315 W HN 0.024 nan 8.180 nan 0.000 0.622 316 I N 2.630 123.030 120.570 -0.284 0.000 2.683 316 I HA 0.167 4.762 4.170 0.708 0.000 0.286 316 I C 1.707 177.790 176.117 -0.057 0.000 1.175 316 I CA 1.562 62.662 61.300 -0.334 0.000 1.429 316 I CB -0.494 37.428 38.000 -0.129 0.000 1.371 316 I HN 0.441 nan 8.210 nan 0.000 0.569 317 G N 4.450 113.168 108.800 -0.137 0.000 2.176 317 G HA2 -0.331 4.054 3.960 0.708 0.000 0.253 317 G HA3 -0.331 4.054 3.960 0.708 0.000 0.253 317 G C 0.900 175.815 174.900 0.026 0.000 0.979 317 G CA 0.727 45.818 45.100 -0.015 0.000 0.641 317 G HN 0.699 nan 8.290 nan 0.000 0.530 318 T N -1.769 112.804 114.554 0.031 0.000 2.851 318 T HA 0.258 5.033 4.350 0.708 0.000 0.262 318 T C 0.855 175.644 174.700 0.148 0.000 1.043 318 T CA 1.218 63.414 62.100 0.161 0.000 1.140 318 T CB -0.108 68.953 68.868 0.321 0.000 0.872 318 T HN 0.820 nan 8.240 nan 0.000 0.446 319 E N 1.488 121.687 120.200 -0.003 0.000 2.291 319 E HA -0.113 4.662 4.350 0.708 0.000 0.181 319 E C -2.004 174.478 176.600 -0.196 0.000 1.480 319 E CA 0.582 56.955 56.400 -0.045 0.000 0.674 319 E CB -1.392 28.308 29.700 0.000 0.000 1.108 319 E HN 0.457 nan 8.360 nan 0.000 0.357 320 P HA -0.153 nan 4.420 nan 0.000 0.221 320 P C 0.917 177.683 177.300 -0.889 0.000 1.145 320 P CA 1.315 63.549 63.100 -1.443 0.000 0.795 320 P CB -0.015 31.032 31.700 -1.088 0.000 0.775 321 Y N -0.811 119.342 120.300 -0.244 0.000 2.458 321 Y HA 0.202 5.176 4.550 0.707 0.000 0.256 321 Y C 1.085 176.965 175.900 -0.034 0.000 1.159 321 Y CA -0.064 57.975 58.100 -0.102 0.000 1.261 321 Y CB 0.031 38.449 38.460 -0.071 0.000 1.119 321 Y HN -0.168 nan 8.280 nan 0.000 0.524 322 K N 0.759 121.203 120.400 0.073 0.000 2.098 322 K HA 0.129 4.874 4.320 0.708 0.000 0.261 322 K C -0.603 176.062 176.600 0.108 0.000 0.987 322 K CA -0.907 55.437 56.287 0.095 0.000 0.916 322 K CB 0.662 33.213 32.500 0.085 0.000 1.039 322 K HN -0.070 nan 8.250 nan 0.000 0.455 323 D N 0.467 120.926 120.400 0.099 0.000 2.506 323 D HA 0.012 5.077 4.640 0.708 0.000 0.234 323 D C 1.226 177.588 176.300 0.102 0.000 1.143 323 D CA 1.552 55.608 54.000 0.094 0.000 0.871 323 D CB 0.807 41.651 40.800 0.072 0.000 1.190 323 D HN 0.830 nan 8.370 nan 0.000 0.459 324 G N 1.469 110.329 108.800 0.100 0.000 2.194 324 G HA2 -0.347 4.037 3.960 0.708 0.000 0.236 324 G HA3 -0.347 4.037 3.960 0.708 0.000 0.236 324 G C 0.855 175.813 174.900 0.097 0.000 0.987 324 G CA 0.197 45.343 45.100 0.077 0.000 0.635 324 G HN 0.469 nan 8.290 nan 0.000 0.520 325 F N 3.025 122.968 119.950 -0.010 0.000 2.171 325 F HA -0.036 4.927 4.527 0.725 0.000 0.300 325 F C 2.483 178.268 175.800 -0.025 0.000 1.090 325 F CA 2.329 60.314 58.000 -0.025 0.000 1.293 325 F CB -0.039 38.940 39.000 -0.035 0.000 1.013 325 F HN 0.333 nan 8.300 nan 0.000 0.486 326 D N -0.026 120.391 120.400 0.030 0.000 2.182 326 D HA -0.257 4.808 4.640 0.708 0.000 0.201 326 D C 1.581 177.817 176.300 -0.107 0.000 0.986 326 D CA 1.643 55.614 54.000 -0.049 0.000 0.847 326 D CB -1.104 39.713 40.800 0.027 0.000 0.942 326 D HN 0.481 nan 8.370 nan 0.000 0.467 327 E N -0.012 120.138 120.200 -0.083 0.000 2.409 327 E HA -0.013 4.762 4.350 0.708 0.000 0.198 327 E C 2.169 178.693 176.600 -0.127 0.000 1.024 327 E CA 0.079 56.432 56.400 -0.079 0.000 0.861 327 E CB -0.115 29.555 29.700 -0.051 0.000 0.788 327 E HN 0.391 nan 8.360 nan 0.000 0.521 328 L N -0.448 120.641 121.223 -0.225 0.000 2.201 328 L HA -0.030 4.735 4.340 0.708 0.000 0.212 328 L C 1.664 178.425 176.870 -0.182 0.000 1.105 328 L CA 0.705 55.383 54.840 -0.270 0.000 0.775 328 L CB -0.545 41.232 42.059 -0.470 0.000 0.913 328 L HN 0.313 nan 8.230 nan 0.000 0.440 329 G N 0.760 109.480 108.800 -0.133 0.000 2.179 329 G HA2 -0.293 4.092 3.960 0.708 0.000 0.257 329 G HA3 -0.293 4.092 3.960 0.708 0.000 0.257 329 G C 0.227 175.166 174.900 0.065 0.000 1.010 329 G CA -0.133 44.970 45.100 0.006 0.000 0.736 329 G HN 0.242 nan 8.290 nan 0.000 0.513 330 L N 0.331 121.492 121.223 -0.103 0.000 2.490 330 L HA 0.154 4.919 4.340 0.708 0.000 0.274 330 L C 1.499 178.372 176.870 0.006 0.000 1.201 330 L CA -0.133 54.675 54.840 -0.052 0.000 0.869 330 L CB 0.396 42.367 42.059 -0.147 0.000 1.123 330 L HN 0.156 nan 8.230 nan 0.000 0.484 331 D N 2.196 122.633 120.400 0.061 0.000 2.149 331 D HA 0.058 5.122 4.640 0.708 0.000 0.201 331 D C 0.470 176.611 176.300 -0.265 0.000 0.972 331 D CA 1.103 55.107 54.000 0.007 0.000 0.835 331 D CB 0.511 41.383 40.800 0.120 0.000 0.966 331 D HN 0.616 nan 8.370 nan 0.000 0.476 332 A N -0.072 122.561 122.820 -0.311 0.000 2.610 332 A HA 0.531 5.276 4.320 0.708 0.000 0.291 332 A C -1.429 176.058 177.584 -0.162 0.000 1.086 332 A CA -0.566 51.179 52.037 -0.487 0.000 0.677 332 A CB 1.817 20.087 19.000 -1.217 0.000 1.278 332 A HN -0.091 nan 8.150 nan 0.000 0.414 333 V N 0.581 120.438 119.914 -0.095 0.000 2.540 333 V HA 0.649 5.194 4.120 0.708 0.000 0.302 333 V C -0.444 175.660 176.094 0.016 0.000 1.035 333 V CA -0.622 61.683 62.300 0.008 0.000 0.873 333 V CB 1.441 33.287 31.823 0.040 0.000 0.992 333 V HN 0.989 nan 8.190 nan 0.000 0.428 334 V N 4.242 124.193 119.914 0.062 0.000 2.581 334 V HA 1.026 5.571 4.120 0.708 0.000 0.303 334 V C 0.283 176.457 176.094 0.133 0.000 1.041 334 V CA 0.448 62.819 62.300 0.118 0.000 0.907 334 V CB 1.726 33.652 31.823 0.171 0.000 0.994 334 V HN 1.051 nan 8.190 nan 0.000 0.442 335 G N 2.950 111.805 108.800 0.092 0.000 2.695 335 G HA2 0.524 4.909 3.960 0.708 0.000 0.290 335 G HA3 0.524 4.909 3.960 0.708 0.000 0.290 335 G C -1.143 173.781 174.900 0.040 0.000 1.410 335 G CA -0.598 44.523 45.100 0.035 0.000 0.844 335 G HN 0.775 nan 8.290 nan 0.000 0.478 336 S N 0.482 116.195 115.700 0.022 0.000 2.499 336 S HA 0.336 5.230 4.470 0.708 0.000 0.275 336 S C 0.292 174.839 174.600 -0.087 0.000 1.257 336 S CA -0.403 57.786 58.200 -0.019 0.000 1.050 336 S CB 0.698 63.893 63.200 -0.010 0.000 0.937 336 S HN 0.358 nan 8.310 nan 0.000 0.490 337 I N 3.857 124.294 120.570 -0.222 0.000 2.291 337 I HA 0.210 4.805 4.170 0.708 0.000 0.292 337 I C 1.286 177.300 176.117 -0.172 0.000 1.064 337 I CA 0.131 61.237 61.300 -0.322 0.000 1.269 337 I CB 0.130 37.648 38.000 -0.803 0.000 1.418 337 I HN 0.872 nan 8.210 nan 0.000 0.485 338 G N 5.308 114.031 108.800 -0.129 0.000 2.781 338 G HA2 0.182 4.567 3.960 0.708 0.000 0.208 338 G HA3 0.182 4.567 3.960 0.708 0.000 0.208 338 G C 0.029 174.876 174.900 -0.088 0.000 1.099 338 G CA 0.246 45.288 45.100 -0.097 0.000 0.776 338 G HN 0.640 nan 8.290 nan 0.000 0.532 339 D N -3.261 117.068 120.400 -0.119 0.000 3.024 339 D HA 0.239 5.304 4.640 0.708 0.000 0.354 339 D C 1.243 177.436 176.300 -0.177 0.000 1.431 339 D CA 0.133 54.063 54.000 -0.117 0.000 0.842 339 D CB 0.141 40.892 40.800 -0.081 0.000 1.437 339 D HN 0.001 nan 8.370 nan 0.000 0.507 340 G N -0.801 107.859 108.800 -0.233 0.000 2.402 340 G HA2 -0.143 4.242 3.960 0.708 0.000 0.216 340 G HA3 -0.143 4.242 3.960 0.708 0.000 0.216 340 G C 1.145 175.830 174.900 -0.359 0.000 1.162 340 G CA 1.687 46.613 45.100 -0.290 0.000 0.777 340 G HN 0.511 nan 8.290 nan 0.000 0.539 341 T N 1.271 115.629 114.554 -0.327 0.000 2.708 341 T HA -0.174 4.601 4.350 0.708 0.000 0.266 341 T C 2.801 177.364 174.700 -0.228 0.000 1.037 341 T CA 2.238 64.166 62.100 -0.286 0.000 1.146 341 T CB -0.661 68.051 68.868 -0.261 0.000 0.865 341 T HN 0.567 nan 8.240 nan 0.000 0.435 342 T N 0.032 114.469 114.554 -0.194 0.000 2.951 342 T HA -0.065 4.709 4.350 0.708 0.000 0.268 342 T C 2.054 176.656 174.700 -0.163 0.000 1.073 342 T CA 1.361 63.350 62.100 -0.186 0.000 1.134 342 T CB -0.852 67.830 68.868 -0.310 0.000 0.884 342 T HN 0.270 nan 8.240 nan 0.000 0.479 343 T N 1.837 116.261 114.554 -0.215 0.000 2.708 343 T HA -0.024 4.751 4.350 0.708 0.000 0.266 343 T C 2.195 176.762 174.700 -0.220 0.000 1.037 343 T CA 0.846 62.827 62.100 -0.198 0.000 1.146 343 T CB -0.163 68.591 68.868 -0.189 0.000 0.865 343 T HN 0.258 nan 8.240 nan 0.000 0.435 344 R N 0.806 121.055 120.500 -0.419 0.000 2.115 344 R HA 0.164 4.928 4.340 0.708 0.000 0.230 344 R C 2.430 178.531 176.300 -0.331 0.000 1.111 344 R CA 0.817 56.530 56.100 -0.644 0.000 0.976 344 R CB -0.720 28.549 30.300 -1.718 0.000 0.870 344 R HN 0.483 nan 8.270 nan 0.000 0.445 345 M N -0.001 119.521 119.600 -0.130 0.000 2.106 345 M HA -0.200 4.705 4.480 0.708 0.000 0.259 345 M C 2.152 178.569 176.300 0.194 0.000 1.068 345 M CA 1.805 57.204 55.300 0.165 0.000 1.100 345 M CB -0.407 32.292 32.600 0.165 0.000 1.351 345 M HN 0.037 nan 8.290 nan 0.000 0.404 346 I N -0.403 120.199 120.570 0.053 0.000 2.235 346 I HA -0.145 4.450 4.170 0.708 0.000 0.241 346 I C 2.705 178.862 176.117 0.066 0.000 1.085 346 I CA 1.012 62.334 61.300 0.038 0.000 1.378 346 I CB -0.638 37.365 38.000 0.004 0.000 1.076 346 I HN 0.198 nan 8.210 nan 0.000 0.415 347 A N 0.434 123.285 122.820 0.053 0.000 1.972 347 A HA -0.225 4.519 4.320 0.708 0.000 0.219 347 A C 1.641 179.302 177.584 0.127 0.000 1.169 347 A CA 2.134 54.220 52.037 0.081 0.000 0.635 347 A CB -0.576 18.444 19.000 0.034 0.000 0.810 347 A HN 0.369 nan 8.150 nan 0.000 0.446 348 D N -0.714 119.806 120.400 0.199 0.000 2.339 348 D HA 0.185 5.249 4.640 0.708 0.000 0.217 348 D C 0.193 176.649 176.300 0.260 0.000 1.050 348 D CA -0.020 54.168 54.000 0.312 0.000 0.856 348 D CB -0.099 41.014 40.800 0.522 0.000 0.922 348 D HN 0.449 nan 8.370 nan 0.000 0.518 349 I N 3.332 123.927 120.570 0.043 0.000 2.587 349 I HA 0.074 4.669 4.170 0.708 0.000 0.284 349 I C -1.728 174.348 176.117 -0.068 0.000 1.134 349 I CA -1.231 59.888 61.300 -0.300 0.000 1.410 349 I CB 0.472 38.272 38.000 -0.334 0.000 1.392 349 I HN -0.127 nan 8.210 nan 0.000 0.545 350 P HA 0.290 nan 4.420 nan 0.000 0.281 350 P C 0.472 177.855 177.300 0.139 0.000 1.281 350 P CA -0.232 62.911 63.100 0.071 0.000 0.811 350 P CB 1.260 33.013 31.700 0.087 0.000 1.154 351 G N -1.369 107.508 108.800 0.128 0.000 2.159 351 G HA2 -0.145 4.240 3.960 0.708 0.000 0.256 351 G HA3 -0.145 4.240 3.960 0.708 0.000 0.256 351 G C 0.007 174.960 174.900 0.088 0.000 0.977 351 G CA 0.254 45.428 45.100 0.123 0.000 0.652 351 G HN 0.763 nan 8.290 nan 0.000 0.531 352 V N -3.626 116.351 119.914 0.105 0.000 3.019 352 V HA 0.890 5.435 4.120 0.708 0.000 0.317 352 V C 1.214 177.350 176.094 0.070 0.000 1.094 352 V CA -0.285 62.049 62.300 0.056 0.000 1.000 352 V CB 1.618 33.470 31.823 0.049 0.000 1.060 352 V HN 0.006 nan 8.190 nan 0.000 0.443 353 K N 0.937 121.377 120.400 0.067 0.000 2.116 353 K HA 0.226 4.970 4.320 0.708 0.000 0.203 353 K C 0.017 176.785 176.600 0.280 0.000 1.052 353 K CA 1.752 58.139 56.287 0.166 0.000 0.952 353 K CB -0.167 32.467 32.500 0.222 0.000 0.729 353 K HN 0.881 nan 8.250 nan 0.000 0.446 354 Y N -2.662 117.695 120.300 0.094 0.000 2.638 354 Y HA 0.531 5.507 4.550 0.710 0.000 0.335 354 Y C -0.992 174.982 175.900 0.124 0.000 1.155 354 Y CA -1.552 56.613 58.100 0.110 0.000 1.046 354 Y CB 1.005 39.526 38.460 0.102 0.000 1.303 354 Y HN -0.101 nan 8.280 nan 0.000 0.460 355 T N -0.991 113.731 114.554 0.281 0.000 2.924 355 T HA 0.702 5.477 4.350 0.708 0.000 0.291 355 T C -1.260 173.617 174.700 0.295 0.000 1.045 355 T CA -0.734 61.481 62.100 0.192 0.000 1.015 355 T CB 2.451 71.420 68.868 0.168 0.000 1.103 355 T HN 0.931 nan 8.240 nan 0.000 0.496 356 E N 0.001 120.332 120.200 0.219 0.000 2.308 356 E HA 0.574 5.349 4.350 0.708 0.000 0.275 356 E C -0.755 175.936 176.600 0.151 0.000 0.890 356 E CA -0.970 55.568 56.400 0.231 0.000 0.754 356 E CB 1.662 31.517 29.700 0.257 0.000 1.207 356 E HN 1.030 nan 8.360 nan 0.000 0.426 357 G N 2.915 111.811 108.800 0.159 0.000 2.379 357 G HA2 0.331 4.716 3.960 0.708 0.000 0.327 357 G HA3 0.331 4.716 3.960 0.708 0.000 0.327 357 G C -0.843 174.037 174.900 -0.035 0.000 1.145 357 G CA -0.600 44.489 45.100 -0.018 0.000 0.905 357 G HN 0.289 nan 8.290 nan 0.000 0.466 358 R N 2.611 123.031 120.500 -0.133 0.000 2.198 358 R HA 0.312 5.076 4.340 0.708 0.000 0.339 358 R C -0.998 175.167 176.300 -0.226 0.000 1.020 358 R CA -0.493 55.531 56.100 -0.127 0.000 0.864 358 R CB 0.112 30.374 30.300 -0.062 0.000 1.105 358 R HN 0.386 nan 8.270 nan 0.000 0.463 359 F N 3.286 123.015 119.950 -0.368 0.000 2.368 359 F HA 0.385 5.345 4.527 0.723 0.000 0.315 359 F C 0.806 176.602 175.800 -0.007 0.000 1.145 359 F CA -0.577 57.279 58.000 -0.241 0.000 1.095 359 F CB 0.873 39.610 39.000 -0.438 0.000 1.286 359 F HN 0.176 nan 8.300 nan 0.000 0.530 360 L N 2.327 123.773 121.223 0.371 0.000 2.334 360 L HA 0.499 5.264 4.340 0.708 0.000 0.270 360 L C -2.313 174.935 176.870 0.630 0.000 1.018 360 L CA -2.100 52.999 54.840 0.433 0.000 0.811 360 L CB 1.432 43.654 42.059 0.272 0.000 1.271 360 L HN 0.300 nan 8.230 nan 0.000 0.443 361 P HA 0.017 nan 4.420 nan 0.000 0.276 361 P C -1.245 176.401 177.300 0.577 0.000 1.244 361 P CA -0.307 63.075 63.100 0.470 0.000 0.801 361 P CB 0.562 32.453 31.700 0.319 0.000 1.006 362 Y N 1.710 122.191 120.300 0.302 0.000 2.425 362 Y HA 0.152 5.129 4.550 0.712 0.000 0.331 362 Y C 0.109 176.271 175.900 0.437 0.000 1.157 362 Y CA -0.154 58.067 58.100 0.201 0.000 1.372 362 Y CB -0.072 38.425 38.460 0.061 0.000 1.253 362 Y HN 0.125 nan 8.280 nan 0.000 0.536 363 F N 7.991 127.776 119.950 -0.274 0.000 2.600 363 F HA 0.211 5.165 4.527 0.710 0.000 0.345 363 F C -0.516 175.208 175.800 -0.127 0.000 1.271 363 F CA -0.598 57.136 58.000 -0.443 0.000 1.138 363 F CB -1.490 37.167 39.000 -0.571 0.000 1.449 363 F HN 0.285 nan 8.300 nan 0.000 0.645 364 F N 3.643 123.712 119.950 0.199 0.000 2.626 364 F HA 0.482 5.437 4.527 0.713 0.000 0.311 364 F C -1.947 174.054 175.800 0.336 0.000 1.088 364 F CA -2.587 55.594 58.000 0.303 0.000 0.949 364 F CB 2.257 41.503 39.000 0.410 0.000 1.322 364 F HN -0.082 nan 8.300 nan 0.000 0.461 365 P HA -0.098 nan 4.420 nan 0.000 0.222 365 P C 0.947 178.400 177.300 0.254 0.000 1.147 365 P CA 1.367 64.531 63.100 0.107 0.000 0.790 365 P CB -0.007 31.641 31.700 -0.087 0.000 0.780 366 D N -0.825 119.782 120.400 0.345 0.000 2.218 366 D HA -0.141 4.923 4.640 0.708 0.000 0.204 366 D C 1.560 178.074 176.300 0.356 0.000 0.976 366 D CA 2.096 56.274 54.000 0.297 0.000 0.853 366 D CB -1.103 39.888 40.800 0.317 0.000 0.939 366 D HN 0.250 nan 8.370 nan 0.000 0.481 367 T N -2.939 111.821 114.554 0.343 0.000 2.999 367 T HA 0.158 4.933 4.350 0.708 0.000 0.247 367 T C 0.544 175.110 174.700 -0.223 0.000 1.012 367 T CA -0.524 61.644 62.100 0.114 0.000 1.048 367 T CB -0.685 68.156 68.868 -0.046 0.000 1.020 367 T HN -0.012 nan 8.240 nan 0.000 0.478 368 F N 3.857 123.727 119.950 -0.133 0.000 2.605 368 F HA 0.419 5.370 4.527 0.706 0.000 0.352 368 F C -0.375 175.432 175.800 0.012 0.000 1.236 368 F CA -1.328 56.368 58.000 -0.506 0.000 1.267 368 F CB -0.293 38.367 39.000 -0.567 0.000 1.632 368 F HN 0.353 nan 8.300 nan 0.000 0.639 369 Y N -1.124 119.242 120.300 0.109 0.000 2.512 369 Y HA 0.519 5.493 4.550 0.707 0.000 0.348 369 Y C -0.277 175.819 175.900 0.326 0.000 0.990 369 Y CA -2.261 55.992 58.100 0.256 0.000 1.033 369 Y CB 0.625 39.156 38.460 0.118 0.000 1.259 369 Y HN 0.263 nan 8.280 nan 0.000 0.461 370 E N 1.920 122.331 120.200 0.352 0.000 2.585 370 E HA 0.348 5.123 4.350 0.708 0.000 0.252 370 E C 1.060 177.733 176.600 0.122 0.000 0.981 370 E CA 1.721 58.218 56.400 0.163 0.000 0.943 370 E CB -0.267 29.495 29.700 0.102 0.000 0.923 370 E HN 1.177 nan 8.360 nan 0.000 0.486 371 G N 3.446 112.258 108.800 0.020 0.000 2.218 371 G HA2 -0.272 4.113 3.960 0.708 0.000 0.216 371 G HA3 -0.272 4.113 3.960 0.708 0.000 0.216 371 G C 0.081 174.893 174.900 -0.146 0.000 0.994 371 G CA 0.027 45.121 45.100 -0.010 0.000 0.637 371 G HN 0.657 nan 8.290 nan 0.000 0.505 372 N N 0.735 119.207 118.700 -0.380 0.000 2.466 372 N HA 0.534 5.698 4.740 0.708 0.000 0.294 372 N C -1.531 173.836 175.510 -0.239 0.000 1.129 372 N CA -0.572 52.186 53.050 -0.487 0.000 0.931 372 N CB 1.585 39.423 38.487 -1.083 0.000 1.193 372 N HN 0.044 nan 8.380 nan 0.000 0.500 373 D N 2.300 122.587 120.400 -0.190 0.000 2.477 373 D HA 0.384 5.449 4.640 0.708 0.000 0.239 373 D C -2.008 174.191 176.300 -0.169 0.000 1.102 373 D CA -2.064 51.876 54.000 -0.099 0.000 0.901 373 D CB 1.211 41.996 40.800 -0.024 0.000 1.026 373 D HN 0.347 nan 8.370 nan 0.000 0.515 374 P HA -0.086 nan 4.420 nan 0.000 0.226 374 P C 1.423 178.709 177.300 -0.023 0.000 1.153 374 P CA 0.588 63.374 63.100 -0.523 0.000 0.777 374 P CB 0.213 30.990 31.700 -1.538 0.000 0.794 375 S N -0.492 115.329 115.700 0.202 0.000 2.400 375 S HA -0.156 4.738 4.470 0.708 0.000 0.232 375 S C 1.884 176.596 174.600 0.186 0.000 1.025 375 S CA 0.955 59.339 58.200 0.307 0.000 0.993 375 S CB -1.258 62.064 63.200 0.204 0.000 0.808 375 S HN -0.092 nan 8.310 nan 0.000 0.478 376 I N 2.696 123.329 120.570 0.106 0.000 2.099 376 I HA -0.177 4.417 4.170 0.708 0.000 0.239 376 I C 2.858 179.049 176.117 0.124 0.000 1.066 376 I CA 2.089 63.444 61.300 0.092 0.000 1.324 376 I CB -1.709 36.319 38.000 0.046 0.000 1.037 376 I HN 0.570 nan 8.210 nan 0.000 0.401 377 E N 1.021 121.285 120.200 0.107 0.000 2.153 377 E HA -0.166 4.609 4.350 0.708 0.000 0.194 377 E C 2.316 179.069 176.600 0.254 0.000 0.988 377 E CA 1.370 57.856 56.400 0.145 0.000 0.811 377 E CB -0.308 29.447 29.700 0.091 0.000 0.746 377 E HN 0.473 nan 8.360 nan 0.000 0.466 378 G N 1.124 110.126 108.800 0.337 0.000 2.418 378 G HA2 -0.221 4.164 3.960 0.708 0.000 0.217 378 G HA3 -0.221 4.164 3.960 0.708 0.000 0.217 378 G C 1.562 176.694 174.900 0.386 0.000 1.158 378 G CA 0.765 46.140 45.100 0.458 0.000 0.771 378 G HN 0.232 nan 8.290 nan 0.000 0.545 379 L N 0.303 121.708 121.223 0.304 0.000 2.109 379 L HA 0.004 4.769 4.340 0.708 0.000 0.207 379 L C 2.521 179.566 176.870 0.292 0.000 1.086 379 L CA 0.780 55.811 54.840 0.319 0.000 0.760 379 L CB -0.329 41.872 42.059 0.236 0.000 0.910 379 L HN 0.070 nan 8.230 nan 0.000 0.437 380 D N 0.019 120.554 120.400 0.226 0.000 2.106 380 D HA -0.251 4.814 4.640 0.708 0.000 0.191 380 D C 1.887 178.310 176.300 0.205 0.000 0.997 380 D CA 1.351 55.458 54.000 0.179 0.000 0.834 380 D CB -0.401 40.486 40.800 0.145 0.000 0.956 380 D HN 0.287 nan 8.370 nan 0.000 0.448 381 N N -0.141 118.722 118.700 0.273 0.000 2.084 381 N HA -0.158 5.007 4.740 0.708 0.000 0.190 381 N C 2.003 177.771 175.510 0.430 0.000 1.030 381 N CA 0.908 54.143 53.050 0.309 0.000 0.849 381 N CB -0.260 38.445 38.487 0.363 0.000 1.012 381 N HN 0.387 nan 8.380 nan 0.000 0.423 382 W N 2.114 123.601 121.300 0.313 0.000 2.318 382 W HA -0.210 4.874 4.660 0.707 0.000 0.313 382 W C 2.049 178.700 176.519 0.219 0.000 1.221 382 W CA 1.016 58.535 57.345 0.290 0.000 1.266 382 W CB -0.182 29.393 29.460 0.191 0.000 1.150 382 W HN 0.131 nan 8.180 nan 0.000 0.496 383 R N 0.290 120.795 120.500 0.009 0.000 2.081 383 R HA -0.171 4.593 4.340 0.708 0.000 0.235 383 R C 2.252 178.454 176.300 -0.164 0.000 1.131 383 R CA 1.857 57.846 56.100 -0.185 0.000 0.960 383 R CB -0.467 29.820 30.300 -0.022 0.000 0.856 383 R HN 0.157 nan 8.270 nan 0.000 0.436 384 K N 0.039 120.412 120.400 -0.045 0.000 2.148 384 K HA -0.059 4.686 4.320 0.708 0.000 0.204 384 K C 1.994 178.524 176.600 -0.117 0.000 1.050 384 K CA 1.314 57.560 56.287 -0.068 0.000 0.942 384 K CB 0.027 32.510 32.500 -0.028 0.000 0.724 384 K HN 0.155 nan 8.250 nan 0.000 0.446 385 A N 0.977 123.756 122.820 -0.068 0.000 1.903 385 A HA -0.056 4.689 4.320 0.708 0.000 0.213 385 A C 2.028 179.515 177.584 -0.163 0.000 1.185 385 A CA 0.753 52.766 52.037 -0.040 0.000 0.628 385 A CB -0.290 18.845 19.000 0.225 0.000 0.830 385 A HN 0.164 nan 8.150 nan 0.000 0.446 386 R N 0.690 120.899 120.500 -0.485 0.000 2.091 386 R HA -0.211 4.553 4.340 0.708 0.000 0.238 386 R C 2.385 178.478 176.300 -0.345 0.000 1.136 386 R CA 1.914 57.583 56.100 -0.718 0.000 0.959 386 R CB -0.321 29.173 30.300 -1.342 0.000 0.856 386 R HN 0.666 nan 8.270 nan 0.000 0.437 387 R N -0.372 119.963 120.500 -0.275 0.000 2.148 387 R HA -0.006 4.759 4.340 0.708 0.000 0.227 387 R C 1.974 178.189 176.300 -0.143 0.000 1.103 387 R CA 1.326 57.322 56.100 -0.173 0.000 0.983 387 R CB -0.389 29.834 30.300 -0.128 0.000 0.874 387 R HN 0.193 nan 8.270 nan 0.000 0.451 388 A N 1.681 124.401 122.820 -0.167 0.000 1.930 388 A HA 0.077 4.822 4.320 0.708 0.000 0.215 388 A C 2.187 179.702 177.584 -0.115 0.000 1.176 388 A CA 0.706 52.638 52.037 -0.175 0.000 0.632 388 A CB -0.281 18.572 19.000 -0.245 0.000 0.819 388 A HN 0.262 nan 8.150 nan 0.000 0.445 389 I N 0.081 120.603 120.570 -0.079 0.000 2.361 389 I HA -0.257 4.337 4.170 0.708 0.000 0.251 389 I C 2.162 178.276 176.117 -0.004 0.000 1.133 389 I CA 0.933 62.226 61.300 -0.011 0.000 1.413 389 I CB -0.253 37.779 38.000 0.054 0.000 1.073 389 I HN 0.291 nan 8.210 nan 0.000 0.424 390 L N 0.146 121.364 121.223 -0.009 0.000 2.131 390 L HA -0.179 4.585 4.340 0.708 0.000 0.210 390 L C 2.561 179.467 176.870 0.060 0.000 1.092 390 L CA 1.015 55.901 54.840 0.076 0.000 0.759 390 L CB -0.554 41.534 42.059 0.048 0.000 0.903 390 L HN 0.255 nan 8.230 nan 0.000 0.435 391 R N -0.991 119.508 120.500 -0.000 0.000 2.200 391 R HA 0.124 4.889 4.340 0.708 0.000 0.208 391 R C 0.763 177.086 176.300 0.037 0.000 1.033 391 R CA 0.342 56.444 56.100 0.004 0.000 1.000 391 R CB -0.144 30.152 30.300 -0.007 0.000 0.906 391 R HN 0.104 nan 8.270 nan 0.000 0.462 392 S N 1.115 116.832 115.700 0.029 0.000 2.423 392 S HA 0.355 5.250 4.470 0.708 0.000 0.213 392 S C -2.821 171.814 174.600 0.058 0.000 1.131 392 S CA -1.298 56.935 58.200 0.056 0.000 1.155 392 S CB 1.120 64.347 63.200 0.044 0.000 1.202 392 S HN -0.177 nan 8.310 nan 0.000 0.441 393 P HA 0.228 nan 4.420 nan 0.000 0.266 393 P C -0.476 176.913 177.300 0.149 0.000 1.195 393 P CA -0.087 63.043 63.100 0.050 0.000 0.768 393 P CB 0.226 31.927 31.700 0.001 0.000 0.838 394 I N -1.451 119.256 120.570 0.227 0.000 2.530 394 I HA 0.405 5.000 4.170 0.708 0.000 0.297 394 I C 0.703 177.146 176.117 0.543 0.000 1.011 394 I CA -0.557 60.957 61.300 0.356 0.000 1.107 394 I CB 2.211 40.444 38.000 0.387 0.000 1.285 394 I HN 0.070 nan 8.210 nan 0.000 0.436 395 S N 3.870 119.850 115.700 0.466 0.000 2.368 395 S HA 0.085 4.979 4.470 0.708 0.000 0.224 395 S C 0.686 175.554 174.600 0.447 0.000 1.029 395 S CA 0.790 59.220 58.200 0.384 0.000 0.988 395 S CB -0.208 63.188 63.200 0.326 0.000 0.838 395 S HN 0.686 nan 8.310 nan 0.000 0.462 396 R N -0.285 120.503 120.500 0.480 0.000 2.836 396 R HA 0.684 5.448 4.340 0.708 0.000 0.269 396 R C -0.750 175.511 176.300 -0.066 0.000 1.010 396 R CA -0.622 55.602 56.100 0.208 0.000 0.930 396 R CB 1.689 32.087 30.300 0.164 0.000 1.218 396 R HN 0.247 nan 8.270 nan 0.000 0.473 397 M N -1.251 118.017 119.600 -0.554 0.000 2.745 397 M HA 0.927 5.832 4.480 0.708 0.000 0.290 397 M C -0.375 175.504 176.300 -0.701 0.000 1.262 397 M CA -0.704 54.230 55.300 -0.610 0.000 0.795 397 M CB 2.627 34.410 32.600 -1.361 0.000 1.758 397 M HN 0.673 nan 8.290 nan 0.000 0.461 398 G N -0.538 107.769 108.800 -0.822 0.000 2.320 398 G HA2 0.483 4.867 3.960 0.708 0.000 0.297 398 G HA3 0.483 4.867 3.960 0.708 0.000 0.297 398 G C -2.594 171.801 174.900 -0.842 0.000 1.344 398 G CA -0.787 43.709 45.100 -1.006 0.000 0.851 398 G HN 0.775 nan 8.290 nan 0.000 0.567 399 Y N -1.041 119.002 120.300 -0.427 0.000 2.634 399 Y HA 0.773 5.750 4.550 0.711 0.000 0.340 399 Y C 0.793 176.432 175.900 -0.435 0.000 1.058 399 Y CA 0.019 57.876 58.100 -0.406 0.000 1.081 399 Y CB 2.526 40.617 38.460 -0.614 0.000 1.295 399 Y HN 0.965 nan 8.280 nan 0.000 0.487 400 G N -0.727 107.873 108.800 -0.334 0.000 2.569 400 G HA2 0.634 5.019 3.960 0.708 0.000 0.300 400 G HA3 0.634 5.019 3.960 0.708 0.000 0.300 400 G C -0.381 174.022 174.900 -0.827 0.000 1.269 400 G CA -0.344 44.569 45.100 -0.311 0.000 0.959 400 G HN 1.220 nan 8.290 nan 0.000 0.478 401 G N -1.080 107.254 108.800 -0.777 0.000 2.342 401 G HA2 0.107 4.492 3.960 0.708 0.000 0.220 401 G HA3 0.107 4.492 3.960 0.708 0.000 0.220 401 G C -1.259 173.339 174.900 -0.503 0.000 1.243 401 G CA -0.746 43.749 45.100 -1.007 0.000 1.083 401 G HN 0.906 nan 8.290 nan 0.000 0.500 402 Y N 0.816 121.076 120.300 -0.067 0.000 2.425 402 Y HA 0.494 5.470 4.550 0.710 0.000 0.347 402 Y C 1.612 177.505 175.900 -0.012 0.000 0.976 402 Y CA -0.379 57.685 58.100 -0.060 0.000 1.190 402 Y CB 1.274 39.649 38.460 -0.141 0.000 1.136 402 Y HN 0.549 nan 8.280 nan 0.000 0.517 403 L N 2.369 123.693 121.223 0.169 0.000 2.079 403 L HA -0.246 4.518 4.340 0.708 0.000 0.210 403 L C 2.310 179.148 176.870 -0.054 0.000 1.081 403 L CA 2.279 57.239 54.840 0.200 0.000 0.752 403 L CB -0.707 41.542 42.059 0.316 0.000 0.896 403 L HN 0.756 nan 8.230 nan 0.000 0.433 404 S N -1.787 113.608 115.700 -0.508 0.000 2.419 404 S HA -0.163 4.732 4.470 0.708 0.000 0.233 404 S C 1.964 176.454 174.600 -0.183 0.000 1.016 404 S CA 1.034 58.835 58.200 -0.665 0.000 0.974 404 S CB -0.701 61.866 63.200 -1.056 0.000 0.786 404 S HN 0.319 nan 8.310 nan 0.000 0.492 405 L N 2.077 123.199 121.223 -0.168 0.000 2.044 405 L HA 0.322 5.087 4.340 0.708 0.000 0.205 405 L C 2.856 179.610 176.870 -0.193 0.000 1.075 405 L CA 1.563 56.329 54.840 -0.123 0.000 0.747 405 L CB -1.755 40.195 42.059 -0.182 0.000 0.903 405 L HN 0.390 nan 8.230 nan 0.000 0.435 406 A N -0.624 121.836 122.820 -0.600 0.000 1.902 406 A HA -0.134 4.610 4.320 0.708 0.000 0.217 406 A C 2.389 180.022 177.584 0.081 0.000 1.181 406 A CA 1.710 53.363 52.037 -0.640 0.000 0.623 406 A CB -0.923 17.328 19.000 -1.249 0.000 0.818 406 A HN 0.461 nan 8.150 nan 0.000 0.443 407 A N -0.331 122.546 122.820 0.096 0.000 2.070 407 A HA -0.131 4.614 4.320 0.708 0.000 0.220 407 A C 1.928 179.620 177.584 0.180 0.000 1.159 407 A CA 1.657 53.794 52.037 0.167 0.000 0.656 407 A CB -0.381 18.772 19.000 0.254 0.000 0.800 407 A HN 0.564 nan 8.150 nan 0.000 0.453 408 K N -1.568 118.966 120.400 0.223 0.000 2.487 408 K HA 0.128 4.873 4.320 0.708 0.000 0.192 408 K C -0.900 175.646 176.600 -0.090 0.000 1.027 408 K CA 0.212 56.546 56.287 0.077 0.000 1.054 408 K CB 0.041 32.560 32.500 0.032 0.000 0.824 408 K HN 0.500 nan 8.250 nan 0.000 0.510 409 F N 1.322 121.359 119.950 0.145 0.000 2.451 409 F HA 0.209 5.162 4.527 0.710 0.000 0.367 409 F C -1.704 174.210 175.800 0.189 0.000 1.100 409 F CA -2.291 55.810 58.000 0.170 0.000 1.171 409 F CB 1.518 40.660 39.000 0.237 0.000 1.405 409 F HN -0.122 nan 8.300 nan 0.000 0.482 410 P HA -0.186 nan 4.420 nan 0.000 0.221 410 P C 1.606 179.008 177.300 0.170 0.000 1.150 410 P CA 1.207 64.399 63.100 0.153 0.000 0.800 410 P CB 0.366 32.105 31.700 0.065 0.000 0.787 411 K N -0.743 119.765 120.400 0.181 0.000 2.057 411 K HA -0.160 4.585 4.320 0.708 0.000 0.207 411 K C 2.059 178.776 176.600 0.194 0.000 1.049 411 K CA 1.047 57.427 56.287 0.156 0.000 0.931 411 K CB -0.567 32.016 32.500 0.139 0.000 0.714 411 K HN -0.063 nan 8.250 nan 0.000 0.440 412 F N 1.297 121.341 119.950 0.157 0.000 2.134 412 F HA -0.204 4.746 4.527 0.706 0.000 0.299 412 F C 1.832 177.732 175.800 0.167 0.000 1.097 412 F CA 1.180 59.262 58.000 0.136 0.000 1.264 412 F CB -0.325 38.774 39.000 0.164 0.000 1.001 412 F HN -0.211 nan 8.300 nan 0.000 0.479 413 V N 0.461 120.527 119.914 0.253 0.000 2.332 413 V HA -0.332 4.213 4.120 0.708 0.000 0.248 413 V C 2.041 178.277 176.094 0.237 0.000 1.055 413 V CA 2.313 64.805 62.300 0.321 0.000 1.038 413 V CB -0.709 31.275 31.823 0.269 0.000 0.651 413 V HN 0.303 nan 8.190 nan 0.000 0.450 414 D N -0.539 119.930 120.400 0.115 0.000 2.183 414 D HA -0.094 4.971 4.640 0.708 0.000 0.203 414 D C 2.280 178.587 176.300 0.011 0.000 0.969 414 D CA 1.491 55.539 54.000 0.080 0.000 0.842 414 D CB -0.264 40.571 40.800 0.058 0.000 0.957 414 D HN 0.402 nan 8.370 nan 0.000 0.484 415 T N 0.542 115.047 114.554 -0.082 0.000 2.708 415 T HA -0.086 4.689 4.350 0.708 0.000 0.266 415 T C 2.274 176.829 174.700 -0.242 0.000 1.037 415 T CA 0.719 62.740 62.100 -0.132 0.000 1.146 415 T CB -0.271 68.505 68.868 -0.153 0.000 0.865 415 T HN -0.026 nan 8.240 nan 0.000 0.435 416 V N 1.729 121.325 119.914 -0.530 0.000 2.332 416 V HA -0.205 4.340 4.120 0.708 0.000 0.248 416 V C 2.778 178.551 176.094 -0.536 0.000 1.055 416 V CA 2.030 63.891 62.300 -0.733 0.000 1.038 416 V CB -1.273 29.674 31.823 -1.462 0.000 0.651 416 V HN 0.536 nan 8.190 nan 0.000 0.450 417 T N -0.878 113.556 114.554 -0.200 0.000 2.720 417 T HA -0.289 4.485 4.350 0.708 0.000 0.268 417 T C 1.842 176.502 174.700 -0.067 0.000 1.037 417 T CA 2.259 64.357 62.100 -0.005 0.000 1.144 417 T CB -0.393 68.565 68.868 0.150 0.000 0.864 417 T HN 0.790 nan 8.240 nan 0.000 0.444 418 H N 0.741 119.739 119.070 -0.121 0.000 2.357 418 H HA 0.075 5.056 4.556 0.707 0.000 0.301 418 H C 2.039 177.266 175.328 -0.168 0.000 1.082 418 H CA 1.371 57.363 56.048 -0.093 0.000 1.342 418 H CB -0.441 29.294 29.762 -0.045 0.000 1.389 418 H HN 0.328 nan 8.280 nan 0.000 0.511 419 I N 0.557 120.920 120.570 -0.345 0.000 2.179 419 I HA -0.254 4.341 4.170 0.708 0.000 0.242 419 I C 2.807 178.560 176.117 -0.608 0.000 1.088 419 I CA 1.072 61.969 61.300 -0.672 0.000 1.357 419 I CB -0.586 37.028 38.000 -0.644 0.000 1.051 419 I HN 0.479 nan 8.210 nan 0.000 0.409 420 A N 1.160 123.747 122.820 -0.388 0.000 1.892 420 A HA -0.252 4.492 4.320 0.708 0.000 0.218 420 A C 2.089 179.586 177.584 -0.145 0.000 1.188 420 A CA 2.238 54.135 52.037 -0.232 0.000 0.631 420 A CB -0.799 18.011 19.000 -0.318 0.000 0.822 420 A HN 0.437 nan 8.150 nan 0.000 0.447 421 N N -0.444 118.154 118.700 -0.170 0.000 2.166 421 N HA -0.162 5.003 4.740 0.708 0.000 0.186 421 N C 1.735 177.191 175.510 -0.090 0.000 1.019 421 N CA 1.540 54.528 53.050 -0.103 0.000 0.856 421 N CB -0.422 38.012 38.487 -0.088 0.000 0.993 421 N HN 0.780 nan 8.380 nan 0.000 0.426 422 E N -0.096 119.988 120.200 -0.193 0.000 2.047 422 E HA -0.149 4.626 4.350 0.708 0.000 0.191 422 E C 1.788 178.431 176.600 0.071 0.000 0.987 422 E CA 0.552 56.912 56.400 -0.066 0.000 0.799 422 E CB -0.172 29.453 29.700 -0.125 0.000 0.752 422 E HN 0.244 nan 8.360 nan 0.000 0.449 423 F N 1.591 121.414 119.950 -0.210 0.000 2.063 423 F HA -0.260 4.689 4.527 0.704 0.000 0.298 423 F C 2.370 178.234 175.800 0.106 0.000 1.109 423 F CA 1.972 59.936 58.000 -0.060 0.000 1.212 423 F CB -0.026 38.806 39.000 -0.282 0.000 0.973 423 F HN -0.083 nan 8.300 nan 0.000 0.480 424 R N -0.310 120.356 120.500 0.277 0.000 2.096 424 R HA -0.183 4.582 4.340 0.708 0.000 0.235 424 R C 1.915 178.254 176.300 0.065 0.000 1.127 424 R CA 1.612 57.825 56.100 0.189 0.000 0.968 424 R CB -0.740 29.634 30.300 0.122 0.000 0.861 424 R HN 0.342 nan 8.270 nan 0.000 0.440 425 D N 0.729 121.138 120.400 0.015 0.000 2.144 425 D HA -0.115 4.949 4.640 0.708 0.000 0.199 425 D C 1.733 177.948 176.300 -0.142 0.000 0.984 425 D CA 0.994 54.951 54.000 -0.071 0.000 0.834 425 D CB 0.043 40.811 40.800 -0.054 0.000 0.955 425 D HN 0.132 nan 8.370 nan 0.000 0.465 426 I N -0.069 120.477 120.570 -0.040 0.000 2.179 426 I HA -0.275 4.320 4.170 0.708 0.000 0.242 426 I C 2.308 178.273 176.117 -0.254 0.000 1.088 426 I CA 1.049 62.302 61.300 -0.078 0.000 1.357 426 I CB -0.385 37.623 38.000 0.012 0.000 1.051 426 I HN 0.246 nan 8.210 nan 0.000 0.409 427 H N 0.685 119.648 119.070 -0.177 0.000 2.353 427 H HA -0.162 4.818 4.556 0.706 0.000 0.300 427 H C 1.786 177.016 175.328 -0.165 0.000 1.090 427 H CA 1.671 57.627 56.048 -0.152 0.000 1.327 427 H CB -0.198 29.508 29.762 -0.094 0.000 1.383 427 H HN 0.357 nan 8.280 nan 0.000 0.508 428 D N 0.369 120.736 120.400 -0.054 0.000 2.144 428 D HA -0.098 4.967 4.640 0.708 0.000 0.199 428 D C 2.244 178.417 176.300 -0.212 0.000 0.984 428 D CA 0.831 54.764 54.000 -0.112 0.000 0.834 428 D CB -0.120 40.609 40.800 -0.118 0.000 0.955 428 D HN 0.347 nan 8.370 nan 0.000 0.465 429 R N -0.813 119.470 120.500 -0.361 0.000 2.173 429 R HA 0.094 4.859 4.340 0.708 0.000 0.208 429 R C 1.536 177.576 176.300 -0.433 0.000 1.035 429 R CA 0.818 56.618 56.100 -0.500 0.000 1.004 429 R CB 0.313 30.035 30.300 -0.963 0.000 0.917 429 R HN -0.005 nan 8.270 nan 0.000 0.462 430 T N -1.800 112.511 114.554 -0.406 0.000 2.969 430 T HA 0.155 4.930 4.350 0.708 0.000 0.258 430 T C 0.714 175.275 174.700 -0.232 0.000 0.962 430 T CA 0.640 62.474 62.100 -0.443 0.000 0.903 430 T CB 0.930 69.354 68.868 -0.740 0.000 1.177 430 T HN 0.446 nan 8.240 nan 0.000 0.511 431 G N 1.289 110.003 108.800 -0.143 0.000 2.198 431 G HA2 -0.050 4.335 3.960 0.708 0.000 0.260 431 G HA3 -0.050 4.335 3.960 0.708 0.000 0.260 431 G C 1.033 175.949 174.900 0.027 0.000 1.025 431 G CA 0.518 45.603 45.100 -0.024 0.000 0.769 431 G HN 1.395 nan 8.290 nan 0.000 0.507 432 G N -2.843 105.944 108.800 -0.022 0.000 2.153 432 G HA2 -0.023 4.362 3.960 0.708 0.000 0.252 432 G HA3 -0.023 4.362 3.960 0.708 0.000 0.252 432 G C 0.420 175.348 174.900 0.045 0.000 0.994 432 G CA 0.598 45.712 45.100 0.023 0.000 0.698 432 G HN 1.674 nan 8.290 nan 0.000 0.521 433 V N 0.823 120.759 119.914 0.037 0.000 2.546 433 V HA 0.680 5.225 4.120 0.708 0.000 0.284 433 V C 1.057 177.275 176.094 0.207 0.000 1.050 433 V CA -0.254 62.111 62.300 0.109 0.000 0.981 433 V CB 1.343 33.235 31.823 0.116 0.000 0.990 433 V HN 1.033 nan 8.190 nan 0.000 0.474 434 A N 4.194 127.115 122.820 0.169 0.000 2.407 434 A HA 0.702 5.447 4.320 0.708 0.000 0.248 434 A C 0.725 178.377 177.584 0.113 0.000 1.082 434 A CA 0.143 52.276 52.037 0.160 0.000 0.785 434 A CB 0.266 19.318 19.000 0.088 0.000 1.020 434 A HN 1.380 nan 8.150 nan 0.000 0.489 435 A N 1.222 124.007 122.820 -0.059 0.000 2.507 435 A HA 0.335 5.080 4.320 0.708 0.000 0.235 435 A C 0.617 178.012 177.584 -0.315 0.000 1.070 435 A CA 0.111 51.792 52.037 -0.594 0.000 0.768 435 A CB -0.108 18.484 19.000 -0.680 0.000 1.011 435 A HN 0.920 nan 8.150 nan 0.000 0.502 436 E N 0.947 120.917 120.200 -0.383 0.000 2.480 436 E HA 0.255 5.030 4.350 0.708 0.000 0.258 436 E C 0.462 177.000 176.600 -0.103 0.000 0.984 436 E CA 0.251 56.529 56.400 -0.202 0.000 0.930 436 E CB 0.332 29.892 29.700 -0.235 0.000 0.936 436 E HN 0.703 nan 8.360 nan 0.000 0.466 437 G N 3.794 112.574 108.800 -0.034 0.000 2.332 437 G HA2 0.089 4.474 3.960 0.708 0.000 0.310 437 G HA3 0.089 4.474 3.960 0.708 0.000 0.310 437 G C 0.273 175.199 174.900 0.044 0.000 1.123 437 G CA -0.497 44.608 45.100 0.008 0.000 0.873 437 G HN 0.629 nan 8.290 nan 0.000 0.460 438 E N 1.346 121.598 120.200 0.086 0.000 2.385 438 E HA 0.133 4.908 4.350 0.708 0.000 0.194 438 E C 0.682 177.298 176.600 0.026 0.000 1.013 438 E CA 0.428 56.918 56.400 0.149 0.000 0.866 438 E CB 0.452 30.373 29.700 0.367 0.000 0.832 438 E HN 0.401 nan 8.360 nan 0.000 0.500 439 L N 0.593 121.768 121.223 -0.079 0.000 2.409 439 L HA 0.380 5.145 4.340 0.708 0.000 0.255 439 L C -0.623 176.200 176.870 -0.078 0.000 1.027 439 L CA -0.994 53.760 54.840 -0.144 0.000 0.834 439 L CB 1.890 43.743 42.059 -0.343 0.000 1.426 439 L HN -0.254 nan 8.230 nan 0.000 0.411 440 N N 1.149 119.817 118.700 -0.054 0.000 2.444 440 N HA 0.485 5.650 4.740 0.708 0.000 0.262 440 N C -1.148 174.330 175.510 -0.054 0.000 0.974 440 N CA -0.240 52.787 53.050 -0.039 0.000 0.933 440 N CB 2.321 40.802 38.487 -0.010 0.000 1.137 440 N HN 0.147 nan 8.380 nan 0.000 0.498 441 V N 0.973 120.830 119.914 -0.095 0.000 2.495 441 V HA 0.755 5.300 4.120 0.708 0.000 0.298 441 V C -0.144 175.820 176.094 -0.217 0.000 1.031 441 V CA -0.968 61.253 62.300 -0.132 0.000 0.871 441 V CB 1.562 33.298 31.823 -0.144 0.000 0.988 441 V HN 0.715 nan 8.190 nan 0.000 0.432 442 A N 5.782 128.467 122.820 -0.225 0.000 2.318 442 A HA 0.830 5.575 4.320 0.708 0.000 0.317 442 A C -0.642 176.725 177.584 -0.360 0.000 1.159 442 A CA -0.524 51.323 52.037 -0.317 0.000 0.799 442 A CB 0.607 19.456 19.000 -0.252 0.000 1.194 442 A HN 0.792 nan 8.150 nan 0.000 0.479 443 I N 2.743 122.991 120.570 -0.536 0.000 2.352 443 I HA 0.208 4.803 4.170 0.708 0.000 0.290 443 I C -0.437 175.493 176.117 -0.312 0.000 1.036 443 I CA -0.331 60.704 61.300 -0.441 0.000 1.336 443 I CB 1.237 38.864 38.000 -0.623 0.000 1.407 443 I HN 0.584 nan 8.210 nan 0.000 0.497 444 L N 8.869 129.947 121.223 -0.242 0.000 2.305 444 L HA 0.535 5.299 4.340 0.708 0.000 0.284 444 L C -0.579 176.071 176.870 -0.366 0.000 1.013 444 L CA 0.183 54.819 54.840 -0.339 0.000 0.819 444 L CB 0.661 42.547 42.059 -0.289 0.000 1.227 444 L HN 0.788 nan 8.230 nan 0.000 0.417 445 N N 1.113 119.507 118.700 -0.510 0.000 3.344 445 N HA 0.356 5.521 4.740 0.708 0.000 0.296 445 N C -0.110 175.149 175.510 -0.419 0.000 1.571 445 N CA -0.293 52.563 53.050 -0.323 0.000 0.844 445 N CB 0.587 39.077 38.487 0.005 0.000 1.718 445 N HN 0.165 nan 8.380 nan 0.000 0.589 446 S N -1.451 114.152 115.700 -0.163 0.000 2.428 446 S HA 0.034 4.929 4.470 0.708 0.000 0.230 446 S C 0.704 175.066 174.600 -0.396 0.000 1.014 446 S CA 0.638 58.701 58.200 -0.228 0.000 0.957 446 S CB -0.474 62.444 63.200 -0.469 0.000 0.784 446 S HN 0.568 nan 8.310 nan 0.000 0.499 447 W N 1.657 122.849 121.300 -0.181 0.000 2.525 447 W HA 0.324 5.440 4.660 0.760 0.000 0.288 447 W C 1.853 178.281 176.519 -0.152 0.000 1.200 447 W CA 0.583 57.826 57.345 -0.170 0.000 1.349 447 W CB -0.739 28.596 29.460 -0.208 0.000 1.102 447 W HN 0.457 nan 8.180 nan 0.000 0.558 448 G N 0.962 109.798 108.800 0.060 0.000 2.547 448 G HA2 -0.485 3.900 3.960 0.708 0.000 0.271 448 G HA3 -0.485 3.900 3.960 0.708 0.000 0.271 448 G C 0.922 175.827 174.900 0.008 0.000 1.209 448 G CA 0.849 45.950 45.100 0.002 0.000 0.959 448 G HN 0.235 nan 8.290 nan 0.000 0.563 449 K N 0.588 120.994 120.400 0.009 0.000 2.147 449 K HA -0.070 4.675 4.320 0.708 0.000 0.205 449 K C 2.812 179.370 176.600 -0.070 0.000 1.049 449 K CA 2.324 58.602 56.287 -0.015 0.000 0.936 449 K CB -0.333 32.196 32.500 0.048 0.000 0.722 449 K HN 0.676 nan 8.250 nan 0.000 0.446 450 M N -0.849 118.756 119.600 0.007 0.000 2.446 450 M HA -0.049 4.856 4.480 0.708 0.000 0.263 450 M C 0.514 176.750 176.300 -0.106 0.000 1.066 450 M CA 1.354 56.671 55.300 0.029 0.000 1.087 450 M CB 0.153 32.795 32.600 0.070 0.000 1.406 450 M HN -0.114 nan 8.290 nan 0.000 0.459 451 R N 1.590 121.940 120.500 -0.249 0.000 2.865 451 R HA 0.384 5.149 4.340 0.708 0.000 0.370 451 R C -0.627 175.237 176.300 -0.728 0.000 1.168 451 R CA -0.108 55.731 56.100 -0.436 0.000 1.058 451 R CB 0.240 30.222 30.300 -0.530 0.000 1.419 451 R HN 0.280 nan 8.270 nan 0.000 0.580 452 S N 0.537 115.631 115.700 -1.010 0.000 2.546 452 S HA -0.063 4.831 4.470 0.708 0.000 0.290 452 S C 0.182 174.013 174.600 -1.282 0.000 1.262 452 S CA 0.074 57.259 58.200 -1.692 0.000 1.083 452 S CB -0.001 62.274 63.200 -1.542 0.000 0.859 452 S HN 0.619 nan 8.310 nan 0.000 0.495 453 W N 0.731 121.069 121.300 -1.603 0.000 2.869 453 W HA -0.284 4.759 4.660 0.638 0.000 0.285 453 W C 0.864 177.192 176.519 -0.318 0.000 1.098 453 W CA 0.185 57.168 57.345 -0.602 0.000 0.571 453 W CB -1.958 27.327 29.460 -0.292 0.000 2.131 453 W HN 0.616 nan 8.180 nan 0.000 1.367 454 M N -0.467 118.963 119.600 -0.283 0.000 2.313 454 M HA 0.334 5.239 4.480 0.708 0.000 0.273 454 M C 1.366 177.540 176.300 -0.210 0.000 1.049 454 M CA 0.412 55.697 55.300 -0.024 0.000 1.004 454 M CB 0.313 32.889 32.600 -0.040 0.000 1.461 454 M HN 0.091 nan 8.290 nan 0.000 0.514 455 A N 0.099 122.661 122.820 -0.430 0.000 2.462 455 A HA 0.362 5.107 4.320 0.708 0.000 0.243 455 A C 0.063 177.091 177.584 -0.927 0.000 1.076 455 A CA 0.139 51.562 52.037 -1.022 0.000 0.773 455 A CB -0.393 17.849 19.000 -1.263 0.000 1.010 455 A HN 0.615 nan 8.150 nan 0.000 0.493 456 F N -0.702 118.536 119.950 -1.186 0.000 2.619 456 F HA -0.206 4.740 4.527 0.698 0.000 0.425 456 F C 1.008 177.055 175.800 0.411 0.000 0.575 456 F CA 1.078 58.825 58.000 -0.422 0.000 1.289 456 F CB -2.505 36.437 39.000 -0.097 0.000 1.859 456 F HN 0.529 nan 8.300 nan 0.000 0.280 457 T N 1.024 115.885 114.554 0.511 0.000 2.884 457 T HA 0.512 5.287 4.350 0.708 0.000 0.298 457 T C 1.150 176.271 174.700 0.702 0.000 0.998 457 T CA 0.164 62.584 62.100 0.535 0.000 1.124 457 T CB 2.224 71.403 68.868 0.518 0.000 0.931 457 T HN 0.022 nan 8.240 nan 0.000 0.531 458 V N 1.830 121.993 119.914 0.415 0.000 3.204 458 V HA 0.458 5.002 4.120 0.708 0.000 0.218 458 V C 1.031 177.211 176.094 0.142 0.000 1.159 458 V CA 0.119 62.615 62.300 0.327 0.000 1.282 458 V CB -0.413 31.509 31.823 0.164 0.000 1.225 458 V HN 0.924 nan 8.190 nan 0.000 0.509 459 A N 0.041 122.870 122.820 0.014 0.000 2.309 459 A HA 0.380 5.125 4.320 0.708 0.000 0.298 459 A C 0.072 177.502 177.584 -0.256 0.000 1.165 459 A CA -0.198 51.776 52.037 -0.104 0.000 0.821 459 A CB -0.227 18.726 19.000 -0.079 0.000 1.102 459 A HN 0.582 nan 8.150 nan 0.000 0.500 460 H N 2.176 120.864 119.070 -0.636 0.000 3.125 460 H HA 0.122 5.094 4.556 0.694 0.000 0.310 460 H C 1.208 176.210 175.328 -0.543 0.000 0.980 460 H CA 1.532 57.033 56.048 -0.911 0.000 1.422 460 H CB 0.306 29.115 29.762 -1.589 0.000 1.432 460 H HN 1.437 nan 8.280 nan 0.000 0.577 461 A N 4.533 126.856 122.820 -0.827 0.000 2.816 461 A HA -0.206 4.538 4.320 0.708 0.000 0.270 461 A C 0.348 177.724 177.584 -0.347 0.000 1.413 461 A CA 1.189 52.901 52.037 -0.542 0.000 0.866 461 A CB -1.921 16.808 19.000 -0.453 0.000 1.032 461 A HN 0.659 nan 8.150 nan 0.000 0.642 462 L N 0.529 121.543 121.223 -0.348 0.000 2.732 462 L HA 0.301 5.065 4.340 0.708 0.000 0.246 462 L C -1.970 174.750 176.870 -0.249 0.000 1.407 462 L CA -1.615 53.081 54.840 -0.240 0.000 0.861 462 L CB 1.016 42.977 42.059 -0.163 0.000 1.161 462 L HN 0.252 nan 8.230 nan 0.000 0.510 463 P HA 0.187 nan 4.420 nan 0.000 0.272 463 P C -1.041 176.198 177.300 -0.101 0.000 1.230 463 P CA -0.077 62.865 63.100 -0.263 0.000 0.788 463 P CB 1.127 32.617 31.700 -0.350 0.000 0.949 464 N N -0.468 118.225 118.700 -0.012 0.000 3.278 464 N HA 0.189 5.354 4.740 0.708 0.000 0.307 464 N C 0.740 176.286 175.510 0.061 0.000 1.551 464 N CA -0.975 52.059 53.050 -0.026 0.000 0.794 464 N CB 0.497 38.961 38.487 -0.038 0.000 1.770 464 N HN 0.271 nan 8.380 nan 0.000 0.612 465 K N -0.785 119.623 120.400 0.013 0.000 2.113 465 K HA -0.204 4.541 4.320 0.708 0.000 0.208 465 K C 0.965 177.722 176.600 0.262 0.000 1.047 465 K CA 1.864 58.215 56.287 0.107 0.000 0.928 465 K CB -0.073 32.451 32.500 0.040 0.000 0.716 465 K HN 0.512 nan 8.250 nan 0.000 0.446 466 Q N -0.626 119.257 119.800 0.139 0.000 2.311 466 Q HA -0.042 4.723 4.340 0.708 0.000 0.203 466 Q C 1.712 177.819 176.000 0.178 0.000 0.954 466 Q CA 1.657 57.522 55.803 0.104 0.000 0.885 466 Q CB 0.480 29.197 28.738 -0.034 0.000 0.963 466 Q HN 0.619 nan 8.270 nan 0.000 0.471 467 T N -3.819 110.879 114.554 0.240 0.000 2.964 467 T HA -0.010 4.764 4.350 0.708 0.000 0.249 467 T C 1.707 176.596 174.700 0.314 0.000 1.000 467 T CA 0.126 62.457 62.100 0.385 0.000 0.992 467 T CB -0.560 68.544 68.868 0.393 0.000 1.087 467 T HN 0.381 nan 8.240 nan 0.000 0.489 468 Y N 2.236 122.586 120.300 0.083 0.000 2.333 468 Y HA 0.120 5.090 4.550 0.700 0.000 0.290 468 Y C 2.188 178.085 175.900 -0.005 0.000 1.144 468 Y CA 0.823 58.966 58.100 0.071 0.000 1.228 468 Y CB -0.791 37.690 38.460 0.035 0.000 0.985 468 Y HN 0.152 nan 8.280 nan 0.000 0.542 469 S N -0.152 115.034 115.700 -0.858 0.000 2.469 469 S HA -0.112 4.783 4.470 0.708 0.000 0.238 469 S C 0.877 174.970 174.600 -0.845 0.000 0.998 469 S CA 1.398 59.019 58.200 -0.965 0.000 0.957 469 S CB -0.425 62.149 63.200 -1.043 0.000 0.764 469 S HN 0.628 nan 8.310 nan 0.000 0.514 470 Y N -1.826 118.254 120.300 -0.367 0.000 2.539 470 Y HA 0.272 5.241 4.550 0.699 0.000 0.284 470 Y C 1.933 177.428 175.900 -0.674 0.000 1.134 470 Y CA -0.772 56.869 58.100 -0.765 0.000 1.251 470 Y CB -0.897 36.702 38.460 -1.435 0.000 1.260 470 Y HN 0.169 nan 8.280 nan 0.000 0.528 471 Y N 1.181 121.339 120.300 -0.238 0.000 2.193 471 Y HA -0.204 4.707 4.550 0.602 0.000 0.285 471 Y C 2.448 178.373 175.900 0.042 0.000 1.166 471 Y CA 1.612 59.735 58.100 0.038 0.000 1.181 471 Y CB -0.716 37.825 38.460 0.135 0.000 0.976 471 Y HN 0.134 nan 8.280 nan 0.000 0.520 472 G N 0.186 109.038 108.800 0.087 0.000 2.475 472 G HA2 -0.292 4.092 3.960 0.708 0.000 0.220 472 G HA3 -0.292 4.092 3.960 0.708 0.000 0.220 472 G C 1.703 176.615 174.900 0.020 0.000 1.125 472 G CA 1.403 46.548 45.100 0.075 0.000 0.755 472 G HN 0.524 nan 8.290 nan 0.000 0.565 473 I N 0.269 120.815 120.570 -0.041 0.000 2.179 473 I HA -0.158 4.437 4.170 0.708 0.000 0.242 473 I C 2.691 178.827 176.117 0.031 0.000 1.088 473 I CA 0.836 62.132 61.300 -0.007 0.000 1.357 473 I CB -0.234 37.761 38.000 -0.010 0.000 1.051 473 I HN 0.125 nan 8.210 nan 0.000 0.409 474 L N 0.023 121.257 121.223 0.018 0.000 2.056 474 L HA -0.176 4.589 4.340 0.708 0.000 0.207 474 L C 2.609 179.495 176.870 0.026 0.000 1.078 474 L CA 1.222 56.129 54.840 0.110 0.000 0.749 474 L CB -0.676 41.452 42.059 0.115 0.000 0.901 474 L HN 0.233 nan 8.230 nan 0.000 0.433 475 E N 0.548 120.601 120.200 -0.245 0.000 2.085 475 E HA -0.174 4.601 4.350 0.708 0.000 0.194 475 E C 2.237 178.674 176.600 -0.271 0.000 0.994 475 E CA 1.674 57.846 56.400 -0.380 0.000 0.801 475 E CB -0.017 29.373 29.700 -0.516 0.000 0.743 475 E HN 0.235 nan 8.360 nan 0.000 0.453 476 S N -0.105 115.619 115.700 0.040 0.000 2.356 476 S HA -0.116 4.779 4.470 0.708 0.000 0.223 476 S C 1.898 176.571 174.600 0.121 0.000 1.032 476 S CA 1.250 59.579 58.200 0.215 0.000 1.005 476 S CB -0.329 62.997 63.200 0.210 0.000 0.867 476 S HN 0.276 nan 8.310 nan 0.000 0.449 477 L N 1.829 123.130 121.223 0.131 0.000 2.201 477 L HA -0.092 4.673 4.340 0.708 0.000 0.212 477 L C 2.714 179.725 176.870 0.234 0.000 1.105 477 L CA 1.179 56.135 54.840 0.193 0.000 0.775 477 L CB -0.757 41.431 42.059 0.215 0.000 0.913 477 L HN 0.439 nan 8.230 nan 0.000 0.440 478 S N -0.267 115.498 115.700 0.108 0.000 2.383 478 S HA -0.144 4.751 4.470 0.708 0.000 0.229 478 S C 1.702 176.183 174.600 -0.198 0.000 1.030 478 S CA 1.294 59.338 58.200 -0.261 0.000 1.002 478 S CB -0.627 62.302 63.200 -0.452 0.000 0.829 478 S HN 0.434 nan 8.310 nan 0.000 0.467 479 G N 0.133 108.872 108.800 -0.102 0.000 3.453 479 G HA2 0.432 4.816 3.960 0.708 0.000 0.263 479 G HA3 0.432 4.816 3.960 0.708 0.000 0.263 479 G C 0.018 174.912 174.900 -0.009 0.000 1.060 479 G CA -0.526 44.528 45.100 -0.076 0.000 0.793 479 G HN 0.481 nan 8.290 nan 0.000 0.532 480 M N 1.505 121.128 119.600 0.039 0.000 2.242 480 M HA 0.282 5.187 4.480 0.708 0.000 0.344 480 M C 1.348 177.685 176.300 0.061 0.000 1.140 480 M CA -0.674 54.668 55.300 0.070 0.000 1.160 480 M CB 0.797 33.460 32.600 0.104 0.000 1.491 480 M HN 0.213 nan 8.290 nan 0.000 0.459 481 R N 2.960 123.504 120.500 0.073 0.000 4.054 481 R HA 0.222 4.987 4.340 0.708 0.000 0.227 481 R C -0.734 175.614 176.300 0.081 0.000 1.902 481 R CA -0.313 55.824 56.100 0.061 0.000 1.590 481 R CB -1.425 28.918 30.300 0.073 0.000 1.245 481 R HN 0.454 nan 8.270 nan 0.000 0.647 482 V N -2.686 117.264 119.914 0.059 0.000 3.074 482 V HA 0.485 5.030 4.120 0.708 0.000 0.314 482 V C -0.888 175.224 176.094 0.030 0.000 1.117 482 V CA -1.461 60.854 62.300 0.024 0.000 1.014 482 V CB 2.200 34.012 31.823 -0.017 0.000 1.057 482 V HN 0.135 nan 8.190 nan 0.000 0.438 483 N N 1.433 120.138 118.700 0.009 0.000 2.414 483 N HA 0.544 5.708 4.740 0.708 0.000 0.256 483 N C -0.765 174.737 175.510 -0.014 0.000 1.029 483 N CA -0.113 52.951 53.050 0.023 0.000 0.948 483 N CB 1.646 40.141 38.487 0.014 0.000 1.102 483 N HN 0.654 nan 8.380 nan 0.000 0.496 484 V N 3.341 123.264 119.914 0.016 0.000 2.459 484 V HA 0.519 5.063 4.120 0.708 0.000 0.295 484 V C 0.423 176.391 176.094 -0.210 0.000 1.029 484 V CA -0.761 61.449 62.300 -0.150 0.000 0.874 484 V CB 1.397 33.135 31.823 -0.141 0.000 0.985 484 V HN 0.671 nan 8.190 nan 0.000 0.438 485 R N 3.331 123.596 120.500 -0.391 0.000 2.888 485 R HA 0.765 5.530 4.340 0.708 0.000 0.264 485 R C -1.904 173.996 176.300 -0.667 0.000 1.045 485 R CA -0.753 55.158 56.100 -0.315 0.000 0.962 485 R CB 1.872 32.092 30.300 -0.133 0.000 1.210 485 R HN 0.376 nan 8.270 nan 0.000 0.479 486 F N 1.795 121.574 119.950 -0.285 0.000 2.493 486 F HA 0.544 5.523 4.527 0.753 0.000 0.329 486 F C 0.093 175.757 175.800 -0.227 0.000 1.126 486 F CA -0.891 56.927 58.000 -0.303 0.000 0.937 486 F CB 2.012 40.786 39.000 -0.377 0.000 1.146 486 F HN 0.475 nan 8.300 nan 0.000 0.442 487 I N -0.331 120.165 120.570 -0.123 0.000 2.934 487 I HA 0.840 5.434 4.170 0.708 0.000 0.306 487 I C -0.652 175.322 176.117 -0.238 0.000 1.110 487 I CA -0.838 60.369 61.300 -0.154 0.000 1.019 487 I CB 2.381 40.266 38.000 -0.191 0.000 1.227 487 I HN 0.506 nan 8.210 nan 0.000 0.434 488 S N 2.381 117.943 115.700 -0.230 0.000 2.681 488 S HA 0.536 5.430 4.470 0.708 0.000 0.299 488 S C 0.464 174.820 174.600 -0.406 0.000 1.113 488 S CA -0.617 57.386 58.200 -0.329 0.000 1.013 488 S CB 1.278 64.379 63.200 -0.165 0.000 1.076 488 S HN 0.604 nan 8.310 nan 0.000 0.534 489 F N 1.102 120.926 119.950 -0.211 0.000 2.161 489 F HA -0.070 4.883 4.527 0.708 0.000 0.300 489 F C 2.166 177.828 175.800 -0.230 0.000 1.089 489 F CA 1.371 59.208 58.000 -0.272 0.000 1.282 489 F CB -0.696 38.084 39.000 -0.367 0.000 1.010 489 F HN 0.536 nan 8.300 nan 0.000 0.485 490 D N 0.223 120.595 120.400 -0.047 0.000 2.117 490 D HA -0.161 4.903 4.640 0.708 0.000 0.197 490 D C 1.800 178.038 176.300 -0.103 0.000 0.987 490 D CA 1.462 55.412 54.000 -0.083 0.000 0.829 490 D CB -0.477 40.279 40.800 -0.074 0.000 0.961 490 D HN 0.261 nan 8.370 nan 0.000 0.460 491 D N 0.493 120.844 120.400 -0.082 0.000 2.104 491 D HA -0.115 4.950 4.640 0.708 0.000 0.194 491 D C 2.319 178.580 176.300 -0.065 0.000 0.994 491 D CA 0.579 54.562 54.000 -0.028 0.000 0.830 491 D CB -0.303 40.477 40.800 -0.033 0.000 0.959 491 D HN 0.092 nan 8.370 nan 0.000 0.452 492 V N 0.919 120.765 119.914 -0.112 0.000 2.427 492 V HA -0.164 4.381 4.120 0.708 0.000 0.248 492 V C 2.611 178.637 176.094 -0.114 0.000 1.051 492 V CA 0.957 63.185 62.300 -0.120 0.000 1.048 492 V CB -0.336 31.398 31.823 -0.147 0.000 0.666 492 V HN 0.166 nan 8.190 nan 0.000 0.456 493 L N -0.132 121.016 121.223 -0.125 0.000 2.109 493 L HA -0.074 4.691 4.340 0.708 0.000 0.207 493 L C 2.616 179.382 176.870 -0.173 0.000 1.086 493 L CA 1.389 56.149 54.840 -0.134 0.000 0.760 493 L CB -0.605 41.373 42.059 -0.134 0.000 0.910 493 L HN 0.350 nan 8.230 nan 0.000 0.437 494 A N -1.154 121.507 122.820 -0.265 0.000 1.898 494 A HA -0.116 4.629 4.320 0.708 0.000 0.214 494 A C 1.743 179.005 177.584 -0.536 0.000 1.183 494 A CA 1.077 52.830 52.037 -0.474 0.000 0.622 494 A CB -0.275 18.295 19.000 -0.717 0.000 0.824 494 A HN 0.473 nan 8.150 nan 0.000 0.444 495 H N -1.707 117.332 119.070 -0.052 0.000 3.233 495 H HA 0.352 5.332 4.556 0.707 0.000 0.263 495 H C 1.225 176.521 175.328 -0.053 0.000 1.168 495 H CA 0.286 56.306 56.048 -0.046 0.000 1.159 495 H CB -0.010 29.725 29.762 -0.045 0.000 1.593 495 H HN 0.652 nan 8.280 nan 0.000 0.580 496 G N 1.780 110.583 108.800 0.005 0.000 2.750 496 G HA2 -0.272 4.112 3.960 0.708 0.000 0.228 496 G HA3 -0.272 4.112 3.960 0.708 0.000 0.228 496 G C -0.338 174.513 174.900 -0.080 0.000 1.367 496 G CA -0.326 44.755 45.100 -0.031 0.000 0.871 496 G HN 0.216 nan 8.290 nan 0.000 0.560 497 I N 1.426 121.901 120.570 -0.158 0.000 2.325 497 I HA 0.195 4.790 4.170 0.708 0.000 0.291 497 I C 0.033 176.042 176.117 -0.179 0.000 1.019 497 I CA -0.641 60.472 61.300 -0.312 0.000 1.302 497 I CB 1.027 38.565 38.000 -0.771 0.000 1.401 497 I HN 0.345 nan 8.210 nan 0.000 0.485 498 D N 3.784 124.103 120.400 -0.134 0.000 2.506 498 D HA -0.059 5.006 4.640 0.708 0.000 0.234 498 D C 1.317 177.622 176.300 0.008 0.000 1.143 498 D CA 0.290 54.258 54.000 -0.052 0.000 0.871 498 D CB 0.884 41.652 40.800 -0.054 0.000 1.190 498 D HN 0.614 nan 8.370 nan 0.000 0.459 499 S N 0.729 116.459 115.700 0.050 0.000 2.515 499 S HA -0.150 4.745 4.470 0.708 0.000 0.231 499 S C 1.004 175.673 174.600 0.114 0.000 0.987 499 S CA 0.449 58.715 58.200 0.110 0.000 0.936 499 S CB 0.028 63.277 63.200 0.081 0.000 0.766 499 S HN 0.552 nan 8.310 nan 0.000 0.528 500 D N 0.963 121.408 120.400 0.074 0.000 2.350 500 D HA 0.114 5.179 4.640 0.708 0.000 0.213 500 D C 0.466 176.814 176.300 0.080 0.000 1.031 500 D CA -0.323 53.716 54.000 0.065 0.000 0.861 500 D CB -0.422 40.398 40.800 0.034 0.000 0.926 500 D HN 0.441 nan 8.370 nan 0.000 0.520 501 I N 1.734 122.369 120.570 0.107 0.000 2.496 501 I HA -0.020 4.575 4.170 0.708 0.000 0.285 501 I C 0.913 177.192 176.117 0.270 0.000 1.080 501 I CA -0.154 61.218 61.300 0.120 0.000 1.404 501 I CB 1.009 39.019 38.000 0.016 0.000 1.403 501 I HN -0.216 nan 8.210 nan 0.000 0.539 502 D N 4.818 125.322 120.400 0.174 0.000 2.262 502 D HA 0.094 5.158 4.640 0.708 0.000 0.212 502 D C 0.066 176.506 176.300 0.233 0.000 0.964 502 D CA 1.200 55.292 54.000 0.155 0.000 0.875 502 D CB 0.734 41.546 40.800 0.021 0.000 0.996 502 D HN 0.192 nan 8.370 nan 0.000 0.497 503 V N 1.677 121.721 119.914 0.217 0.000 2.733 503 V HA 0.348 4.893 4.120 0.708 0.000 0.306 503 V C -0.360 175.826 176.094 0.154 0.000 1.084 503 V CA -0.740 61.689 62.300 0.215 0.000 0.905 503 V CB 2.889 34.736 31.823 0.039 0.000 1.010 503 V HN -0.086 nan 8.190 nan 0.000 0.424 504 I N 5.008 125.710 120.570 0.220 0.000 2.359 504 I HA 0.519 5.113 4.170 0.708 0.000 0.294 504 I C -0.657 175.372 176.117 -0.148 0.000 0.987 504 I CA -0.479 60.825 61.300 0.007 0.000 1.225 504 I CB 1.755 39.799 38.000 0.073 0.000 1.366 504 I HN 0.442 nan 8.210 nan 0.000 0.466 505 I N 6.246 126.683 120.570 -0.221 0.000 2.378 505 I HA 0.309 4.904 4.170 0.708 0.000 0.291 505 I C -0.198 175.768 176.117 -0.251 0.000 0.992 505 I CA -0.441 60.682 61.300 -0.295 0.000 1.154 505 I CB 1.493 39.371 38.000 -0.202 0.000 1.315 505 I HN 0.579 nan 8.210 nan 0.000 0.448 506 N N 4.847 123.345 118.700 -0.336 0.000 2.399 506 N HA 0.625 5.789 4.740 0.708 0.000 0.280 506 N C -1.077 174.396 175.510 -0.063 0.000 1.008 506 N CA -0.222 52.782 53.050 -0.077 0.000 0.894 506 N CB 2.285 40.860 38.487 0.147 0.000 1.273 506 N HN 0.844 nan 8.380 nan 0.000 0.486 507 G N 0.825 109.668 108.800 0.072 0.000 2.667 507 G HA2 0.768 5.152 3.960 0.708 0.000 0.298 507 G HA3 0.768 5.152 3.960 0.708 0.000 0.298 507 G C -0.670 174.260 174.900 0.049 0.000 1.377 507 G CA -0.292 44.855 45.100 0.078 0.000 0.964 507 G HN 0.781 nan 8.290 nan 0.000 0.493 508 G N 0.670 109.281 108.800 -0.314 0.000 2.369 508 G HA2 0.454 4.839 3.960 0.708 0.000 0.307 508 G HA3 0.454 4.839 3.960 0.708 0.000 0.307 508 G C -3.510 171.217 174.900 -0.288 0.000 1.327 508 G CA -0.517 44.146 45.100 -0.729 0.000 0.963 508 G HN 0.674 nan 8.290 nan 0.000 0.590 509 P HA 0.470 nan 4.420 nan 0.000 0.276 509 P C 0.523 177.940 177.300 0.195 0.000 1.252 509 P CA -0.543 62.688 63.100 0.218 0.000 0.802 509 P CB 1.196 33.102 31.700 0.343 0.000 1.035 510 V N 1.520 121.575 119.914 0.236 0.000 2.901 510 V HA -0.035 4.510 4.120 0.708 0.000 0.307 510 V C 0.219 176.414 176.094 0.169 0.000 1.084 510 V CA 1.034 63.444 62.300 0.184 0.000 1.184 510 V CB -1.042 30.979 31.823 0.331 0.000 0.941 510 V HN 0.682 nan 8.190 nan 0.000 0.493 511 D N 2.353 122.814 120.400 0.102 0.000 2.800 511 D HA -0.125 4.940 4.640 0.708 0.000 0.232 511 D C 0.168 176.525 176.300 0.094 0.000 1.137 511 D CA 1.446 55.495 54.000 0.082 0.000 0.718 511 D CB -1.362 39.502 40.800 0.106 0.000 1.084 511 D HN 1.125 nan 8.370 nan 0.000 0.432 512 T N -5.198 109.407 114.554 0.085 0.000 2.916 512 T HA 0.767 5.542 4.350 0.708 0.000 0.292 512 T C 1.451 176.065 174.700 -0.144 0.000 1.064 512 T CA -0.305 61.831 62.100 0.060 0.000 1.011 512 T CB 2.058 71.069 68.868 0.238 0.000 1.152 512 T HN -0.042 nan 8.240 nan 0.000 0.510 513 A N 0.251 122.830 122.820 -0.403 0.000 2.032 513 A HA 0.075 4.820 4.320 0.708 0.000 0.221 513 A C 1.570 178.800 177.584 -0.590 0.000 1.165 513 A CA 1.290 52.941 52.037 -0.643 0.000 0.645 513 A CB -1.143 17.309 19.000 -0.914 0.000 0.807 513 A HN 0.756 nan 8.150 nan 0.000 0.453 514 F N 0.300 120.176 119.950 -0.123 0.000 2.335 514 F HA -0.020 4.938 4.527 0.718 0.000 0.296 514 F C 2.770 178.590 175.800 0.033 0.000 1.091 514 F CA 1.465 59.360 58.000 -0.175 0.000 1.399 514 F CB -1.001 37.730 39.000 -0.449 0.000 1.067 514 F HN 0.317 nan 8.300 nan 0.000 0.520 515 T N -3.522 111.147 114.554 0.192 0.000 2.901 515 T HA 0.440 5.215 4.350 0.708 0.000 0.252 515 T C 1.961 176.941 174.700 0.468 0.000 1.035 515 T CA 1.082 63.341 62.100 0.265 0.000 1.142 515 T CB -0.205 68.727 68.868 0.106 0.000 0.869 515 T HN 0.366 nan 8.240 nan 0.000 0.442 516 G N 0.273 109.193 108.800 0.200 0.000 2.624 516 G HA2 0.355 4.739 3.960 0.708 0.000 0.190 516 G HA3 0.355 4.739 3.960 0.708 0.000 0.190 516 G C 0.944 175.704 174.900 -0.234 0.000 1.008 516 G CA 0.377 45.438 45.100 -0.065 0.000 0.731 516 G HN 1.555 nan 8.290 nan 0.000 0.478 517 G N 0.636 109.407 108.800 -0.050 0.000 2.498 517 G HA2 -0.180 4.205 3.960 0.708 0.000 0.245 517 G HA3 -0.180 4.205 3.960 0.708 0.000 0.245 517 G C 0.358 175.177 174.900 -0.136 0.000 1.204 517 G CA 0.777 45.825 45.100 -0.085 0.000 0.933 517 G HN 0.647 nan 8.290 nan 0.000 0.574 518 D N 0.150 120.439 120.400 -0.185 0.000 2.378 518 D HA 0.032 5.097 4.640 0.708 0.000 0.222 518 D C 2.372 178.464 176.300 -0.346 0.000 0.980 518 D CA 0.954 54.816 54.000 -0.231 0.000 0.907 518 D CB 0.006 40.692 40.800 -0.191 0.000 0.899 518 D HN 0.413 nan 8.370 nan 0.000 0.527 519 V N -0.563 119.061 119.914 -0.484 0.000 2.568 519 V HA -0.215 4.330 4.120 0.708 0.000 0.253 519 V C 1.354 177.011 176.094 -0.728 0.000 1.072 519 V CA 1.379 63.267 62.300 -0.686 0.000 1.084 519 V CB -0.455 30.746 31.823 -1.037 0.000 0.676 519 V HN 0.324 nan 8.190 nan 0.000 0.469 520 W N 0.100 121.117 121.300 -0.472 0.000 2.825 520 W HA -0.014 5.068 4.660 0.703 0.000 0.243 520 W C 2.338 178.616 176.519 -0.402 0.000 1.293 520 W CA 0.937 58.055 57.345 -0.379 0.000 1.403 520 W CB -0.285 28.988 29.460 -0.313 0.000 1.134 520 W HN 0.432 nan 8.180 nan 0.000 0.666 521 T N -2.959 111.364 114.554 -0.384 0.000 3.107 521 T HA 0.018 4.793 4.350 0.708 0.000 0.249 521 T C 0.659 175.093 174.700 -0.444 0.000 1.096 521 T CA -0.212 61.432 62.100 -0.760 0.000 1.012 521 T CB -0.319 67.790 68.868 -1.265 0.000 0.977 521 T HN -0.136 nan 8.240 nan 0.000 0.527 522 N N 3.288 121.796 118.700 -0.320 0.000 2.401 522 N HA 0.175 5.339 4.740 0.708 0.000 0.255 522 N C -1.475 173.951 175.510 -0.141 0.000 1.110 522 N CA -2.243 50.672 53.050 -0.225 0.000 0.949 522 N CB 1.748 40.078 38.487 -0.261 0.000 1.110 522 N HN 0.087 nan 8.380 nan 0.000 0.490 523 P HA -0.149 nan 4.420 nan 0.000 0.220 523 P C 1.017 178.303 177.300 -0.023 0.000 1.148 523 P CA 1.028 64.121 63.100 -0.011 0.000 0.803 523 P CB 0.472 32.186 31.700 0.024 0.000 0.782 524 K N -0.342 120.026 120.400 -0.053 0.000 2.147 524 K HA -0.147 4.598 4.320 0.708 0.000 0.205 524 K C 2.071 178.632 176.600 -0.064 0.000 1.049 524 K CA 0.807 57.063 56.287 -0.052 0.000 0.936 524 K CB -0.513 31.946 32.500 -0.069 0.000 0.722 524 K HN -0.027 nan 8.250 nan 0.000 0.446 525 L N 0.697 121.850 121.223 -0.118 0.000 2.005 525 L HA -0.120 4.645 4.340 0.708 0.000 0.207 525 L C 1.996 178.843 176.870 -0.039 0.000 1.072 525 L CA 1.420 56.166 54.840 -0.156 0.000 0.744 525 L CB -0.508 41.323 42.059 -0.381 0.000 0.895 525 L HN -0.034 nan 8.230 nan 0.000 0.433 526 V N -0.029 119.899 119.914 0.022 0.000 2.332 526 V HA -0.309 4.236 4.120 0.708 0.000 0.248 526 V C 2.522 178.666 176.094 0.083 0.000 1.055 526 V CA 2.068 64.436 62.300 0.113 0.000 1.038 526 V CB -0.672 31.222 31.823 0.119 0.000 0.651 526 V HN 0.509 nan 8.190 nan 0.000 0.450 527 E N -0.137 120.097 120.200 0.056 0.000 2.058 527 E HA -0.211 4.564 4.350 0.708 0.000 0.194 527 E C 2.296 178.943 176.600 0.079 0.000 0.997 527 E CA 1.986 58.425 56.400 0.064 0.000 0.801 527 E CB -0.390 29.334 29.700 0.041 0.000 0.746 527 E HN 0.582 nan 8.360 nan 0.000 0.450 528 T N 0.626 115.214 114.554 0.055 0.000 2.708 528 T HA -0.138 4.637 4.350 0.708 0.000 0.266 528 T C 2.090 176.869 174.700 0.132 0.000 1.037 528 T CA 1.273 63.413 62.100 0.068 0.000 1.146 528 T CB -0.247 68.625 68.868 0.006 0.000 0.865 528 T HN -0.028 nan 8.240 nan 0.000 0.435 529 V N 1.258 121.243 119.914 0.119 0.000 2.358 529 V HA -0.144 4.400 4.120 0.708 0.000 0.246 529 V C 2.630 178.855 176.094 0.218 0.000 1.047 529 V CA 1.573 63.978 62.300 0.175 0.000 1.035 529 V CB -0.564 31.317 31.823 0.096 0.000 0.658 529 V HN 0.355 nan 8.190 nan 0.000 0.452 530 R N 0.071 120.664 120.500 0.154 0.000 2.073 530 R HA -0.114 4.650 4.340 0.708 0.000 0.234 530 R C 2.494 178.966 176.300 0.288 0.000 1.134 530 R CA 1.521 57.753 56.100 0.221 0.000 0.952 530 R CB -0.665 29.769 30.300 0.223 0.000 0.850 530 R HN 0.524 nan 8.270 nan 0.000 0.433 531 A N 0.441 123.389 122.820 0.214 0.000 1.883 531 A HA -0.230 4.515 4.320 0.708 0.000 0.217 531 A C 1.915 179.624 177.584 0.208 0.000 1.186 531 A CA 1.452 53.594 52.037 0.174 0.000 0.624 531 A CB -0.939 18.145 19.000 0.139 0.000 0.822 531 A HN 0.631 nan 8.150 nan 0.000 0.444 532 W N 0.615 121.958 121.300 0.072 0.000 2.355 532 W HA -0.176 4.910 4.660 0.710 0.000 0.309 532 W C 1.996 178.573 176.519 0.095 0.000 1.206 532 W CA 2.352 59.738 57.345 0.070 0.000 1.284 532 W CB -0.377 29.119 29.460 0.060 0.000 1.145 532 W HN 0.105 nan 8.180 nan 0.000 0.502 533 V N 1.025 121.002 119.914 0.105 0.000 2.358 533 V HA -0.282 4.263 4.120 0.708 0.000 0.246 533 V C 2.380 178.490 176.094 0.026 0.000 1.047 533 V CA 2.278 64.534 62.300 -0.073 0.000 1.035 533 V CB -1.064 30.815 31.823 0.093 0.000 0.658 533 V HN 0.068 nan 8.190 nan 0.000 0.452 534 R N 1.061 121.661 120.500 0.167 0.000 2.117 534 R HA -0.128 4.637 4.340 0.708 0.000 0.243 534 R C 2.055 178.327 176.300 -0.048 0.000 1.143 534 R CA 1.608 57.736 56.100 0.047 0.000 0.968 534 R CB -0.944 29.350 30.300 -0.010 0.000 0.863 534 R HN 0.531 nan 8.270 nan 0.000 0.444 535 G N -2.626 106.128 108.800 -0.077 0.000 2.985 535 G HA2 0.252 4.637 3.960 0.708 0.000 0.209 535 G HA3 0.252 4.637 3.960 0.708 0.000 0.209 535 G C 0.707 175.498 174.900 -0.181 0.000 1.165 535 G CA 0.391 45.426 45.100 -0.108 0.000 0.776 535 G HN 0.549 nan 8.290 nan 0.000 0.541 536 G N -1.587 107.063 108.800 -0.249 0.000 2.273 536 G HA2 0.059 4.443 3.960 0.708 0.000 0.162 536 G HA3 0.059 4.443 3.960 0.708 0.000 0.162 536 G C 0.754 175.401 174.900 -0.421 0.000 1.006 536 G CA 0.087 45.034 45.100 -0.255 0.000 0.704 536 G HN 0.850 nan 8.290 nan 0.000 0.487 537 G N 0.040 108.320 108.800 -0.867 0.000 2.716 537 G HA2 0.637 5.022 3.960 0.708 0.000 0.251 537 G HA3 0.637 5.022 3.960 0.708 0.000 0.251 537 G C 0.202 174.683 174.900 -0.698 0.000 1.224 537 G CA 0.657 44.822 45.100 -1.559 0.000 0.891 537 G HN 1.598 nan 8.290 nan 0.000 0.561 538 A N -0.480 122.083 122.820 -0.428 0.000 2.374 538 A HA 0.647 5.392 4.320 0.708 0.000 0.305 538 A C -1.537 176.233 177.584 0.310 0.000 1.053 538 A CA -0.552 51.489 52.037 0.007 0.000 0.726 538 A CB 1.388 20.399 19.000 0.018 0.000 1.229 538 A HN 0.852 nan 8.150 nan 0.000 0.431 539 F N 3.229 123.254 119.950 0.125 0.000 2.460 539 F HA 0.608 5.561 4.527 0.710 0.000 0.341 539 F C -0.973 174.867 175.800 0.066 0.000 1.130 539 F CA -0.630 57.461 58.000 0.151 0.000 0.962 539 F CB 1.836 40.912 39.000 0.127 0.000 1.171 539 F HN 0.330 nan 8.300 nan 0.000 0.436 540 V N 5.641 125.284 119.914 -0.452 0.000 2.357 540 V HA 0.657 5.202 4.120 0.708 0.000 0.284 540 V C 0.257 176.000 176.094 -0.586 0.000 1.018 540 V CA -0.607 61.487 62.300 -0.343 0.000 0.841 540 V CB 1.226 32.934 31.823 -0.191 0.000 0.991 540 V HN 0.936 nan 8.190 nan 0.000 0.437 541 G N 3.707 112.277 108.800 -0.382 0.000 2.417 541 G HA2 0.625 5.010 3.960 0.708 0.000 0.320 541 G HA3 0.625 5.010 3.960 0.708 0.000 0.320 541 G C -1.078 173.687 174.900 -0.225 0.000 1.204 541 G CA -0.430 44.484 45.100 -0.309 0.000 0.923 541 G HN 0.541 nan 8.290 nan 0.000 0.466 542 V N 2.595 122.395 119.914 -0.190 0.000 2.487 542 V HA 0.805 5.349 4.120 0.708 0.000 0.298 542 V C 1.107 177.215 176.094 0.024 0.000 1.028 542 V CA 0.689 62.893 62.300 -0.159 0.000 0.860 542 V CB 0.481 32.268 31.823 -0.060 0.000 0.991 542 V HN 1.606 nan 8.190 nan 0.000 0.427 543 G N 5.006 113.811 108.800 0.009 0.000 3.487 543 G HA2 -0.237 4.148 3.960 0.708 0.000 0.295 543 G HA3 -0.237 4.148 3.960 0.708 0.000 0.295 543 G C 0.175 175.234 174.900 0.264 0.000 1.454 543 G CA 0.458 45.719 45.100 0.269 0.000 1.039 543 G HN 0.713 nan 8.290 nan 0.000 0.624 544 E N 2.419 122.665 120.200 0.076 0.000 3.659 544 E HA 0.316 5.091 4.350 0.708 0.000 0.217 544 E C -2.638 173.639 176.600 -0.539 0.000 1.141 544 E CA -1.596 54.688 56.400 -0.193 0.000 1.340 544 E CB 1.966 31.843 29.700 0.295 0.000 1.295 544 E HN 0.425 nan 8.360 nan 0.000 0.434 545 P HA -0.087 nan 4.420 nan 0.000 0.268 545 P C 0.438 177.312 177.300 -0.710 0.000 1.205 545 P CA 0.466 63.280 63.100 -0.476 0.000 0.771 545 P CB 1.156 32.681 31.700 -0.293 0.000 0.858 546 S N 0.095 115.272 115.700 -0.870 0.000 3.358 546 S HA -0.195 4.700 4.470 0.708 0.000 0.309 546 S C 0.269 174.279 174.600 -0.983 0.000 1.247 546 S CA 0.947 58.074 58.200 -1.787 0.000 0.961 546 S CB -3.121 59.111 63.200 -1.613 0.000 1.074 546 S HN 0.779 nan 8.310 nan 0.000 0.625 547 S N 0.499 115.821 115.700 -0.630 0.000 2.564 547 S HA 0.727 5.621 4.470 0.708 0.000 0.278 547 S C 0.021 174.371 174.600 -0.417 0.000 1.333 547 S CA -0.203 57.648 58.200 -0.581 0.000 1.048 547 S CB 1.517 64.317 63.200 -0.668 0.000 0.900 547 S HN 1.962 nan 8.310 nan 0.000 0.505 548 A N 3.373 125.936 122.820 -0.427 0.000 2.442 548 A HA 0.704 5.448 4.320 0.708 0.000 0.284 548 A C -2.948 174.618 177.584 -0.030 0.000 1.058 548 A CA -1.646 50.297 52.037 -0.157 0.000 0.738 548 A CB 1.190 20.142 19.000 -0.080 0.000 1.242 548 A HN 0.666 nan 8.150 nan 0.000 0.421 549 P HA 0.352 nan 4.420 nan 0.000 0.279 549 P C 0.316 177.772 177.300 0.260 0.000 1.239 549 P CA 0.027 63.337 63.100 0.349 0.000 0.789 549 P CB 1.026 32.929 31.700 0.338 0.000 0.933 550 R N -0.632 120.027 120.500 0.264 0.000 4.002 550 R HA -0.275 4.489 4.340 0.708 0.000 0.443 550 R C 1.450 177.868 176.300 0.197 0.000 0.770 550 R CA 1.339 57.552 56.100 0.189 0.000 1.648 550 R CB -2.425 27.961 30.300 0.144 0.000 2.287 550 R HN 0.404 nan 8.270 nan 0.000 0.454 551 F N 2.022 122.014 119.950 0.070 0.000 2.095 551 F HA -0.103 4.850 4.527 0.710 0.000 0.298 551 F C 0.930 176.756 175.800 0.043 0.000 1.104 551 F CA 1.798 59.824 58.000 0.044 0.000 1.232 551 F CB 0.182 39.202 39.000 0.032 0.000 0.987 551 F HN 0.078 nan 8.300 nan 0.000 0.475 552 Q N -0.465 119.375 119.800 0.067 0.000 2.330 552 Q HA 0.190 4.955 4.340 0.708 0.000 0.269 552 Q C 0.887 176.913 176.000 0.043 0.000 1.022 552 Q CA -0.140 55.642 55.803 -0.035 0.000 0.796 552 Q CB 1.852 30.599 28.738 0.015 0.000 1.271 552 Q HN 0.010 nan 8.270 nan 0.000 0.450 553 T N 1.234 115.790 114.554 0.003 0.000 2.737 553 T HA -0.155 4.620 4.350 0.708 0.000 0.269 553 T C 1.326 176.046 174.700 0.033 0.000 1.040 553 T CA 1.835 63.947 62.100 0.021 0.000 1.142 553 T CB -0.011 68.855 68.868 -0.003 0.000 0.861 553 T HN 0.841 nan 8.240 nan 0.000 0.456 554 G N -0.079 108.738 108.800 0.028 0.000 3.277 554 G HA2 0.361 4.745 3.960 0.708 0.000 0.243 554 G HA3 0.361 4.745 3.960 0.708 0.000 0.243 554 G C 0.304 175.240 174.900 0.060 0.000 1.107 554 G CA -0.416 44.705 45.100 0.035 0.000 0.771 554 G HN 0.232 nan 8.290 nan 0.000 0.544 555 R N -0.626 119.924 120.500 0.083 0.000 2.512 555 R HA 0.469 5.233 4.340 0.708 0.000 0.291 555 R C -0.647 175.752 176.300 0.166 0.000 1.097 555 R CA -0.755 55.399 56.100 0.090 0.000 0.940 555 R CB 0.702 31.046 30.300 0.072 0.000 1.198 555 R HN -0.025 nan 8.270 nan 0.000 0.429 556 F N 4.019 123.943 119.950 -0.043 0.000 2.315 556 F HA 0.412 5.364 4.527 0.707 0.000 0.284 556 F C -0.133 175.755 175.800 0.147 0.000 1.049 556 F CA 0.262 58.269 58.000 0.011 0.000 1.323 556 F CB 0.346 39.290 39.000 -0.093 0.000 1.113 556 F HN 0.354 nan 8.300 nan 0.000 0.544 557 F N 3.045 122.927 119.950 -0.113 0.000 2.471 557 F HA 0.189 5.143 4.527 0.712 0.000 0.365 557 F C 1.532 177.193 175.800 -0.232 0.000 1.095 557 F CA -0.918 56.919 58.000 -0.271 0.000 1.174 557 F CB 0.137 39.013 39.000 -0.206 0.000 1.105 557 F HN 0.148 nan 8.300 nan 0.000 0.535 558 Q N 2.733 122.459 119.800 -0.124 0.000 2.224 558 Q HA -0.032 4.733 4.340 0.708 0.000 0.203 558 Q C 1.557 177.495 176.000 -0.102 0.000 0.970 558 Q CA 1.060 56.823 55.803 -0.066 0.000 0.865 558 Q CB 0.068 28.794 28.738 -0.021 0.000 0.922 558 Q HN 0.654 nan 8.270 nan 0.000 0.445 559 L N 0.501 121.577 121.223 -0.245 0.000 2.783 559 L HA 0.237 5.001 4.340 0.708 0.000 0.236 559 L C 1.694 178.475 176.870 -0.148 0.000 1.225 559 L CA -0.201 54.478 54.840 -0.267 0.000 1.026 559 L CB -0.335 41.394 42.059 -0.550 0.000 1.314 559 L HN 0.016 nan 8.230 nan 0.000 0.489 560 A N 1.130 123.926 122.820 -0.040 0.000 1.997 560 A HA -0.277 4.468 4.320 0.708 0.000 0.221 560 A C 2.046 179.596 177.584 -0.056 0.000 1.172 560 A CA 2.247 54.271 52.037 -0.022 0.000 0.645 560 A CB -0.333 18.627 19.000 -0.067 0.000 0.813 560 A HN 0.659 nan 8.150 nan 0.000 0.454 561 D N -0.175 120.197 120.400 -0.046 0.000 2.178 561 D HA -0.094 4.971 4.640 0.708 0.000 0.202 561 D C 1.767 178.035 176.300 -0.053 0.000 0.974 561 D CA 1.512 55.524 54.000 0.020 0.000 0.841 561 D CB -0.858 40.019 40.800 0.128 0.000 0.953 561 D HN 0.278 nan 8.370 nan 0.000 0.478 562 V N 1.801 121.517 119.914 -0.330 0.000 2.323 562 V HA -0.155 4.390 4.120 0.708 0.000 0.244 562 V C 2.590 178.579 176.094 -0.175 0.000 1.041 562 V CA 1.701 63.624 62.300 -0.629 0.000 1.025 562 V CB -0.540 30.852 31.823 -0.719 0.000 0.656 562 V HN 0.380 nan 8.190 nan 0.000 0.451 563 I N -2.029 118.517 120.570 -0.041 0.000 3.728 563 I HA 0.463 5.058 4.170 0.708 0.000 0.307 563 I C 1.531 177.672 176.117 0.040 0.000 1.276 563 I CA 0.912 62.256 61.300 0.073 0.000 1.285 563 I CB -0.108 38.000 38.000 0.180 0.000 1.038 563 I HN 0.381 nan 8.210 nan 0.000 0.445 564 G N 1.669 110.463 108.800 -0.011 0.000 2.159 564 G HA2 -0.203 4.182 3.960 0.708 0.000 0.256 564 G HA3 -0.203 4.182 3.960 0.708 0.000 0.256 564 G C 0.030 174.835 174.900 -0.158 0.000 0.977 564 G CA 0.203 45.275 45.100 -0.048 0.000 0.652 564 G HN 0.367 nan 8.290 nan 0.000 0.531 565 V N 0.067 119.859 119.914 -0.204 0.000 2.760 565 V HA 0.761 5.306 4.120 0.708 0.000 0.309 565 V C -0.616 175.180 176.094 -0.496 0.000 1.077 565 V CA -0.646 61.399 62.300 -0.426 0.000 0.910 565 V CB 2.132 33.641 31.823 -0.523 0.000 1.008 565 V HN 0.284 nan 8.190 nan 0.000 0.424 566 D N 1.528 121.375 120.400 -0.921 0.000 2.533 566 D HA 0.413 5.478 4.640 0.708 0.000 0.247 566 D C -0.976 174.577 176.300 -1.247 0.000 1.056 566 D CA -0.560 52.764 54.000 -1.126 0.000 1.054 566 D CB 2.611 42.921 40.800 -0.817 0.000 1.400 566 D HN 0.655 nan 8.370 nan 0.000 0.533 567 E N 0.958 120.421 120.200 -1.229 0.000 2.134 567 E HA 0.220 4.994 4.350 0.708 0.000 0.278 567 E C -0.905 175.505 176.600 -0.317 0.000 0.959 567 E CA -0.628 55.390 56.400 -0.636 0.000 0.783 567 E CB 1.036 30.432 29.700 -0.507 0.000 1.095 567 E HN 0.256 nan 8.360 nan 0.000 0.399 568 E N 3.541 123.674 120.200 -0.110 0.000 2.417 568 E HA -0.045 4.729 4.350 0.708 0.000 0.261 568 E C -0.201 176.126 176.600 -0.456 0.000 1.000 568 E CA 0.307 56.593 56.400 -0.190 0.000 0.919 568 E CB 0.519 30.073 29.700 -0.243 0.000 0.955 568 E HN 0.376 nan 8.360 nan 0.000 0.455 569 R N 4.002 124.260 120.500 -0.403 0.000 2.577 569 R HA 0.096 4.861 4.340 0.708 0.000 0.344 569 R C -0.382 175.842 176.300 -0.127 0.000 1.037 569 R CA -0.387 55.490 56.100 -0.372 0.000 1.102 569 R CB -0.525 29.547 30.300 -0.381 0.000 1.313 569 R HN 0.795 nan 8.270 nan 0.000 0.561 570 Y N -0.845 119.394 120.300 -0.102 0.000 4.879 570 Y HA -0.270 4.705 4.550 0.707 0.000 0.247 570 Y C 1.332 177.194 175.900 -0.064 0.000 0.985 570 Y CA 0.649 58.703 58.100 -0.077 0.000 2.000 570 Y CB -1.612 36.809 38.460 -0.065 0.000 1.519 570 Y HN 0.090 nan 8.280 nan 0.000 0.613 571 Q N -0.462 119.344 119.800 0.010 0.000 2.391 571 Q HA 0.163 4.928 4.340 0.708 0.000 0.211 571 Q C 1.515 177.499 176.000 -0.027 0.000 0.908 571 Q CA 1.453 57.258 55.803 0.004 0.000 0.920 571 Q CB 0.237 28.977 28.738 0.002 0.000 1.056 571 Q HN 0.665 nan 8.270 nan 0.000 0.523 572 T N -2.509 112.003 114.554 -0.070 0.000 3.331 572 T HA 0.382 5.157 4.350 0.708 0.000 0.282 572 T C 1.336 175.954 174.700 -0.137 0.000 1.010 572 T CA -0.206 61.834 62.100 -0.100 0.000 0.928 572 T CB -0.304 68.496 68.868 -0.113 0.000 1.154 572 T HN -0.007 nan 8.240 nan 0.000 0.516 573 L N 0.358 121.523 121.223 -0.096 0.000 2.275 573 L HA 0.008 4.773 4.340 0.708 0.000 0.215 573 L C 2.615 179.429 176.870 -0.092 0.000 1.119 573 L CA 0.687 55.469 54.840 -0.096 0.000 0.790 573 L CB -0.527 41.513 42.059 -0.031 0.000 0.919 573 L HN 0.338 nan 8.230 nan 0.000 0.443 574 S N -0.738 114.919 115.700 -0.072 0.000 2.474 574 S HA -0.011 4.883 4.470 0.708 0.000 0.235 574 S C 0.844 175.398 174.600 -0.077 0.000 0.997 574 S CA 0.247 58.411 58.200 -0.061 0.000 0.949 574 S CB 0.020 63.197 63.200 -0.040 0.000 0.766 574 S HN 0.076 nan 8.310 nan 0.000 0.517 575 V N 3.448 123.296 119.914 -0.110 0.000 2.385 575 V HA 0.175 4.719 4.120 0.708 0.000 0.269 575 V C 0.079 176.056 176.094 -0.195 0.000 1.043 575 V CA -0.888 61.337 62.300 -0.125 0.000 0.906 575 V CB 0.841 32.585 31.823 -0.131 0.000 0.995 575 V HN 0.251 nan 8.190 nan 0.000 0.467 576 D N 5.076 125.367 120.400 -0.183 0.000 2.458 576 D HA 0.095 5.159 4.640 0.708 0.000 0.243 576 D C -0.012 175.997 176.300 -0.485 0.000 1.146 576 D CA 0.090 53.882 54.000 -0.346 0.000 0.877 576 D CB 0.976 41.570 40.800 -0.343 0.000 1.176 576 D HN 0.326 nan 8.370 nan 0.000 0.461 577 K N 2.784 122.884 120.400 -0.499 0.000 2.211 577 K HA 0.268 5.013 4.320 0.708 0.000 0.275 577 K C -0.597 175.812 176.600 -0.319 0.000 1.024 577 K CA -0.612 55.480 56.287 -0.324 0.000 0.887 577 K CB 0.693 33.107 32.500 -0.143 0.000 1.084 577 K HN 0.318 nan 8.250 nan 0.000 0.463 578 Y N 2.193 122.593 120.300 0.167 0.000 2.334 578 Y HA 0.348 5.323 4.550 0.708 0.000 0.336 578 Y C -0.150 175.904 175.900 0.257 0.000 0.960 578 Y CA -0.813 57.402 58.100 0.191 0.000 1.164 578 Y CB 0.888 39.394 38.460 0.076 0.000 1.155 578 Y HN 0.399 nan 8.280 nan 0.000 0.478 579 F N 6.037 126.053 119.950 0.108 0.000 2.408 579 F HA 0.427 5.379 4.527 0.708 0.000 0.344 579 F C -1.830 173.960 175.800 -0.016 0.000 1.112 579 F CA -2.330 55.700 58.000 0.051 0.000 1.096 579 F CB 1.270 40.297 39.000 0.045 0.000 1.129 579 F HN 0.323 nan 8.300 nan 0.000 0.486 580 P HA 0.209 nan 4.420 nan 0.000 0.276 580 P C -2.749 174.502 177.300 -0.081 0.000 1.252 580 P CA -1.747 61.351 63.100 -0.004 0.000 0.802 580 P CB 0.240 31.946 31.700 0.010 0.000 1.035 581 P HA 0.052 nan 4.420 nan 0.000 0.268 581 P C -0.169 177.194 177.300 0.104 0.000 1.205 581 P CA 0.063 62.982 63.100 -0.301 0.000 0.771 581 P CB 0.230 31.814 31.700 -0.194 0.000 0.858 582 V N 3.961 124.098 119.914 0.371 0.000 2.740 582 V HA -0.005 4.540 4.120 0.708 0.000 0.303 582 V C 0.467 176.770 176.094 0.349 0.000 1.054 582 V CA 0.199 62.725 62.300 0.378 0.000 1.106 582 V CB 1.007 33.110 31.823 0.466 0.000 0.957 582 V HN 0.216 nan 8.190 nan 0.000 0.486 583 V N 8.076 128.102 119.914 0.186 0.000 2.277 583 V HA 0.239 4.783 4.120 0.708 0.000 0.269 583 V C -1.145 175.005 176.094 0.094 0.000 1.036 583 V CA -0.846 61.552 62.300 0.162 0.000 0.821 583 V CB 1.230 33.134 31.823 0.135 0.000 1.052 583 V HN 0.861 nan 8.190 nan 0.000 0.462 584 P HA 0.045 nan 4.420 nan 0.000 0.227 584 P C 0.011 177.316 177.300 0.009 0.000 1.161 584 P CA 0.590 63.663 63.100 -0.045 0.000 0.788 584 P CB 0.559 32.176 31.700 -0.139 0.000 0.822 585 D N 0.670 121.113 120.400 0.072 0.000 2.454 585 D HA 0.229 5.293 4.640 0.708 0.000 0.225 585 D C -0.188 176.180 176.300 0.114 0.000 1.081 585 D CA 0.166 54.205 54.000 0.064 0.000 0.864 585 D CB 1.000 41.835 40.800 0.058 0.000 1.040 585 D HN 0.215 nan 8.370 nan 0.000 0.517 586 H N 1.380 120.431 119.070 -0.032 0.000 3.012 586 H HA 0.026 5.007 4.556 0.708 0.000 0.367 586 H C -0.015 175.289 175.328 -0.040 0.000 1.211 586 H CA -0.657 55.371 56.048 -0.033 0.000 1.139 586 H CB 1.696 31.409 29.762 -0.082 0.000 1.838 586 H HN 0.223 nan 8.280 nan 0.000 0.550 587 F N 3.426 123.116 119.950 -0.433 0.000 2.120 587 F HA -0.200 4.751 4.527 0.707 0.000 0.300 587 F C 1.829 177.549 175.800 -0.134 0.000 1.095 587 F CA 2.004 59.849 58.000 -0.259 0.000 1.249 587 F CB -0.147 38.705 39.000 -0.247 0.000 0.995 587 F HN 0.553 nan 8.300 nan 0.000 0.480 588 I N -0.016 120.708 120.570 0.257 0.000 2.286 588 I HA -0.260 4.335 4.170 0.708 0.000 0.248 588 I C 1.905 177.974 176.117 -0.081 0.000 1.115 588 I CA 1.804 63.149 61.300 0.075 0.000 1.392 588 I CB -0.632 37.385 38.000 0.028 0.000 1.065 588 I HN 0.307 nan 8.210 nan 0.000 0.418 589 T N -1.926 112.597 114.554 -0.051 0.000 3.206 589 T HA 0.378 5.153 4.350 0.708 0.000 0.253 589 T C 1.510 176.135 174.700 -0.126 0.000 1.042 589 T CA 0.309 62.356 62.100 -0.088 0.000 0.931 589 T CB 0.352 69.184 68.868 -0.060 0.000 1.029 589 T HN 0.235 nan 8.240 nan 0.000 0.564 590 A N 2.059 124.763 122.820 -0.194 0.000 1.969 590 A HA -0.030 4.714 4.320 0.708 0.000 0.218 590 A C 1.992 179.476 177.584 -0.166 0.000 1.169 590 A CA 1.133 53.054 52.037 -0.192 0.000 0.635 590 A CB -0.324 18.503 19.000 -0.290 0.000 0.810 590 A HN 0.453 nan 8.150 nan 0.000 0.445 591 D N -0.448 119.843 120.400 -0.181 0.000 2.339 591 D HA 0.148 5.213 4.640 0.708 0.000 0.217 591 D C 0.073 176.304 176.300 -0.115 0.000 1.050 591 D CA 0.081 54.000 54.000 -0.134 0.000 0.856 591 D CB 0.242 40.966 40.800 -0.127 0.000 0.922 591 D HN 0.136 nan 8.370 nan 0.000 0.518 592 V N 3.090 122.931 119.914 -0.121 0.000 2.540 592 V HA 0.029 4.574 4.120 0.708 0.000 0.297 592 V C -1.870 174.165 176.094 -0.098 0.000 1.024 592 V CA -0.971 61.258 62.300 -0.118 0.000 1.105 592 V CB 0.258 32.007 31.823 -0.124 0.000 0.938 592 V HN -0.041 nan 8.190 nan 0.000 0.482 593 P HA 0.108 nan 4.420 nan 0.000 0.263 593 P C -0.323 176.936 177.300 -0.069 0.000 1.195 593 P CA -0.032 63.024 63.100 -0.073 0.000 0.762 593 P CB 0.362 32.020 31.700 -0.069 0.000 0.799 594 V N 3.726 123.606 119.914 -0.057 0.000 2.740 594 V HA 0.047 4.591 4.120 0.708 0.000 0.303 594 V C 0.689 176.759 176.094 -0.040 0.000 1.054 594 V CA 0.576 62.847 62.300 -0.049 0.000 1.106 594 V CB 0.694 32.496 31.823 -0.035 0.000 0.957 594 V HN 0.566 nan 8.190 nan 0.000 0.486 595 D N 5.837 126.214 120.400 -0.039 0.000 2.446 595 D HA 0.356 5.421 4.640 0.708 0.000 0.251 595 D C -1.844 174.452 176.300 -0.007 0.000 1.137 595 D CA -2.004 51.981 54.000 -0.025 0.000 0.890 595 D CB 2.160 42.942 40.800 -0.030 0.000 1.071 595 D HN 0.155 nan 8.370 nan 0.000 0.528 596 P HA -0.132 nan 4.420 nan 0.000 0.214 596 P C 1.219 178.536 177.300 0.029 0.000 1.163 596 P CA 1.699 64.809 63.100 0.017 0.000 0.889 596 P CB 0.266 31.974 31.700 0.012 0.000 0.790 597 A N -0.192 122.641 122.820 0.022 0.000 1.917 597 A HA -0.204 4.541 4.320 0.708 0.000 0.219 597 A C 2.326 179.935 177.584 0.043 0.000 1.182 597 A CA 2.441 54.495 52.037 0.028 0.000 0.633 597 A CB -1.639 17.372 19.000 0.018 0.000 0.819 597 A HN 0.220 nan 8.150 nan 0.000 0.448 598 A N -0.613 122.229 122.820 0.036 0.000 1.898 598 A HA -0.113 4.632 4.320 0.708 0.000 0.216 598 A C 2.244 179.891 177.584 0.105 0.000 1.181 598 A CA 1.684 53.752 52.037 0.051 0.000 0.620 598 A CB -0.465 18.542 19.000 0.011 0.000 0.819 598 A HN 0.556 nan 8.150 nan 0.000 0.442 599 R N -0.095 120.457 120.500 0.087 0.000 2.081 599 R HA -0.159 4.605 4.340 0.708 0.000 0.235 599 R C 2.000 178.461 176.300 0.268 0.000 1.131 599 R CA 1.805 58.012 56.100 0.179 0.000 0.960 599 R CB -0.269 30.091 30.300 0.101 0.000 0.856 599 R HN 0.666 nan 8.270 nan 0.000 0.436 600 E N -0.195 120.092 120.200 0.145 0.000 2.058 600 E HA -0.196 4.578 4.350 0.708 0.000 0.194 600 E C 1.916 178.566 176.600 0.083 0.000 0.997 600 E CA 1.478 57.938 56.400 0.100 0.000 0.801 600 E CB -0.125 29.609 29.700 0.057 0.000 0.746 600 E HN 0.483 nan 8.360 nan 0.000 0.450 601 A N 0.492 123.368 122.820 0.092 0.000 1.929 601 A HA -0.158 4.587 4.320 0.708 0.000 0.216 601 A C 1.878 179.504 177.584 0.070 0.000 1.176 601 A CA 1.089 53.162 52.037 0.061 0.000 0.628 601 A CB -0.913 18.121 19.000 0.058 0.000 0.816 601 A HN 0.549 nan 8.150 nan 0.000 0.444 602 W N 1.119 122.385 121.300 -0.055 0.000 2.358 602 W HA -0.176 4.909 4.660 0.709 0.000 0.303 602 W C 1.805 178.246 176.519 -0.129 0.000 1.208 602 W CA 1.989 59.282 57.345 -0.088 0.000 1.274 602 W CB -0.154 29.270 29.460 -0.059 0.000 1.138 602 W HN 0.447 nan 8.180 nan 0.000 0.515 603 E N -0.389 119.706 120.200 -0.176 0.000 2.110 603 E HA -0.265 4.510 4.350 0.708 0.000 0.193 603 E C 2.263 178.656 176.600 -0.344 0.000 0.988 603 E CA 1.416 57.557 56.400 -0.432 0.000 0.804 603 E CB -0.300 29.340 29.700 -0.100 0.000 0.745 603 E HN 0.368 nan 8.360 nan 0.000 0.458 604 Q N -0.305 119.382 119.800 -0.188 0.000 2.123 604 Q HA -0.038 4.727 4.340 0.708 0.000 0.199 604 Q C 2.091 177.988 176.000 -0.172 0.000 0.966 604 Q CA 1.167 56.885 55.803 -0.141 0.000 0.845 604 Q CB 0.012 28.706 28.738 -0.072 0.000 0.907 604 Q HN 0.222 nan 8.270 nan 0.000 0.439 605 A N 0.371 123.068 122.820 -0.205 0.000 1.970 605 A HA 0.272 5.017 4.320 0.708 0.000 0.216 605 A C 1.267 178.680 177.584 -0.285 0.000 1.170 605 A CA 1.289 53.211 52.037 -0.192 0.000 0.645 605 A CB -0.537 18.379 19.000 -0.141 0.000 0.816 605 A HN 0.420 nan 8.150 nan 0.000 0.447 606 G N -1.698 106.798 108.800 -0.505 0.000 2.601 606 G HA2 -0.222 4.162 3.960 0.708 0.000 0.252 606 G HA3 -0.222 4.162 3.960 0.708 0.000 0.252 606 G C -0.311 174.187 174.900 -0.670 0.000 1.294 606 G CA 0.258 44.957 45.100 -0.669 0.000 0.912 606 G HN 0.645 nan 8.290 nan 0.000 0.574 607 Y N 0.494 120.709 120.300 -0.141 0.000 2.446 607 Y HA 0.652 5.626 4.550 0.707 0.000 0.338 607 Y C 1.336 177.201 175.900 -0.058 0.000 1.055 607 Y CA -0.898 57.152 58.100 -0.083 0.000 1.101 607 Y CB 1.115 39.548 38.460 -0.045 0.000 1.221 607 Y HN 0.601 nan 8.280 nan 0.000 0.460 608 R N 2.947 123.514 120.500 0.111 0.000 2.537 608 R HA 0.097 4.861 4.340 0.708 0.000 0.281 608 R C -0.084 176.260 176.300 0.073 0.000 0.988 608 R CA -0.031 56.098 56.100 0.049 0.000 1.077 608 R CB -0.047 30.252 30.300 -0.002 0.000 0.932 608 R HN 0.687 nan 8.270 nan 0.000 0.409 609 I N 1.118 121.718 120.570 0.050 0.000 2.638 609 I HA 0.293 4.888 4.170 0.708 0.000 0.286 609 I C -2.057 174.104 176.117 0.073 0.000 1.088 609 I CA -2.473 58.861 61.300 0.057 0.000 1.397 609 I CB 0.621 38.641 38.000 0.033 0.000 1.414 609 I HN 0.316 nan 8.210 nan 0.000 0.566 610 P HA 0.147 nan 4.420 nan 0.000 0.264 610 P C -0.940 176.417 177.300 0.094 0.000 1.183 610 P CA 0.183 63.389 63.100 0.176 0.000 0.763 610 P CB 0.464 32.288 31.700 0.206 0.000 0.807 611 L N 1.860 123.125 121.223 0.069 0.000 2.422 611 L HA 0.351 5.116 4.340 0.708 0.000 0.264 611 L C 0.044 176.925 176.870 0.018 0.000 0.984 611 L CA -0.943 53.914 54.840 0.030 0.000 0.819 611 L CB 2.241 44.303 42.059 0.005 0.000 1.330 611 L HN 0.259 nan 8.230 nan 0.000 0.410 612 S N 2.142 117.851 115.700 0.015 0.000 2.563 612 S HA 0.232 5.127 4.470 0.708 0.000 0.294 612 S C 1.176 175.766 174.600 -0.017 0.000 1.279 612 S CA 1.180 59.384 58.200 0.006 0.000 1.069 612 S CB 0.185 63.388 63.200 0.005 0.000 0.828 612 S HN 1.221 nan 8.310 nan 0.000 0.497 613 G N 3.132 111.913 108.800 -0.031 0.000 2.168 613 G HA2 -0.266 4.119 3.960 0.708 0.000 0.263 613 G HA3 -0.266 4.119 3.960 0.708 0.000 0.263 613 G C 0.583 175.436 174.900 -0.077 0.000 0.977 613 G CA 0.387 45.456 45.100 -0.052 0.000 0.659 613 G HN 0.927 nan 8.290 nan 0.000 0.533 614 C N 0.207 119.455 119.300 -0.087 0.000 3.642 614 C HA 0.639 5.524 4.460 0.708 0.000 0.305 614 C C 2.051 176.944 174.990 -0.163 0.000 1.492 614 C CA 0.153 59.109 59.018 -0.103 0.000 1.809 614 C CB -0.640 27.061 27.740 -0.065 0.000 2.639 614 C HN 1.928 nan 8.230 nan 0.000 0.672 615 G N 1.341 109.989 108.800 -0.254 0.000 2.578 615 G HA2 0.239 4.624 3.960 0.708 0.000 0.284 615 G HA3 0.239 4.624 3.960 0.708 0.000 0.284 615 G C -0.001 174.773 174.900 -0.209 0.000 1.283 615 G CA 0.196 44.996 45.100 -0.501 0.000 0.944 615 G HN 1.358 nan 8.290 nan 0.000 0.558 616 G N -3.860 104.870 108.800 -0.116 0.000 2.576 616 G HA2 0.719 5.104 3.960 0.708 0.000 0.290 616 G HA3 0.719 5.104 3.960 0.708 0.000 0.290 616 G C 0.933 175.923 174.900 0.150 0.000 1.442 616 G CA 1.168 46.356 45.100 0.146 0.000 0.792 616 G HN 2.613 nan 8.290 nan 0.000 0.491 617 G N -1.158 107.708 108.800 0.110 0.000 2.195 617 G HA2 -0.209 4.176 3.960 0.708 0.000 0.246 617 G HA3 -0.209 4.176 3.960 0.708 0.000 0.246 617 G C 0.360 175.302 174.900 0.069 0.000 0.984 617 G CA 0.897 46.043 45.100 0.077 0.000 0.633 617 G HN 0.961 nan 8.290 nan 0.000 0.525 618 Q N 1.664 121.392 119.800 -0.120 0.000 2.313 618 Q HA 0.520 5.285 4.340 0.708 0.000 0.266 618 Q C 0.866 176.952 176.000 0.143 0.000 0.989 618 Q CA 0.519 56.193 55.803 -0.216 0.000 0.890 618 Q CB 1.107 29.526 28.738 -0.533 0.000 1.200 618 Q HN 0.761 nan 8.270 nan 0.000 0.396 619 S N 1.730 117.605 115.700 0.293 0.000 2.549 619 S HA 0.076 4.971 4.470 0.708 0.000 0.286 619 S C 0.762 175.380 174.600 0.029 0.000 1.314 619 S CA -0.373 57.907 58.200 0.134 0.000 1.062 619 S CB 0.351 63.726 63.200 0.292 0.000 0.865 619 S HN 0.643 nan 8.310 nan 0.000 0.498 620 I N 1.513 122.045 120.570 -0.063 0.000 2.617 620 I HA 0.020 4.615 4.170 0.708 0.000 0.256 620 I C 1.116 177.231 176.117 -0.004 0.000 1.167 620 I CA 0.963 62.238 61.300 -0.042 0.000 1.469 620 I CB -0.047 37.909 38.000 -0.073 0.000 1.098 620 I HN 0.602 nan 8.210 nan 0.000 0.436 621 K N 1.030 121.444 120.400 0.024 0.000 2.328 621 K HA 0.401 5.146 4.320 0.708 0.000 0.246 621 K C -2.534 174.187 176.600 0.203 0.000 0.955 621 K CA -1.871 54.470 56.287 0.090 0.000 0.817 621 K CB 1.771 34.316 32.500 0.076 0.000 1.208 621 K HN -0.254 nan 8.250 nan 0.000 0.432 622 P HA 0.048 nan 4.420 nan 0.000 0.286 622 P C 0.140 177.487 177.300 0.079 0.000 1.269 622 P CA -0.446 62.729 63.100 0.125 0.000 0.787 622 P CB 1.037 32.782 31.700 0.075 0.000 0.920 623 L N 4.089 125.259 121.223 -0.088 0.000 2.027 623 L HA 0.100 4.865 4.340 0.708 0.000 0.206 623 L C 1.328 178.105 176.870 -0.155 0.000 1.074 623 L CA 2.750 57.389 54.840 -0.335 0.000 0.745 623 L CB -1.473 40.064 42.059 -0.869 0.000 0.898 623 L HN 0.828 nan 8.230 nan 0.000 0.433 624 G N -1.716 107.038 108.800 -0.077 0.000 2.598 624 G HA2 0.115 4.499 3.960 0.708 0.000 0.244 624 G HA3 0.115 4.499 3.960 0.708 0.000 0.244 624 G C 0.918 175.786 174.900 -0.053 0.000 1.302 624 G CA 0.044 45.132 45.100 -0.020 0.000 0.903 624 G HN 1.503 nan 8.290 nan 0.000 0.575 625 G N -2.043 106.721 108.800 -0.060 0.000 2.195 625 G HA2 -0.078 4.307 3.960 0.708 0.000 0.246 625 G HA3 -0.078 4.307 3.960 0.708 0.000 0.246 625 G C 0.301 175.111 174.900 -0.150 0.000 0.984 625 G CA 0.974 46.017 45.100 -0.095 0.000 0.633 625 G HN 1.646 nan 8.290 nan 0.000 0.525 626 I N 0.851 121.305 120.570 -0.193 0.000 2.533 626 I HA 0.366 4.961 4.170 0.708 0.000 0.290 626 I C -1.142 174.689 176.117 -0.477 0.000 1.056 626 I CA -0.936 60.099 61.300 -0.441 0.000 1.057 626 I CB 2.096 39.630 38.000 -0.778 0.000 1.240 626 I HN 0.015 nan 8.210 nan 0.000 0.423 627 D N 5.506 125.644 120.400 -0.436 0.000 2.411 627 D HA 0.233 5.297 4.640 0.708 0.000 0.225 627 D C -0.099 175.987 176.300 -0.356 0.000 1.156 627 D CA 0.009 53.851 54.000 -0.263 0.000 0.874 627 D CB 0.442 41.157 40.800 -0.142 0.000 1.034 627 D HN 0.249 nan 8.370 nan 0.000 0.502 628 F N 2.383 122.290 119.950 -0.071 0.000 2.645 628 F HA 0.308 5.259 4.527 0.706 0.000 0.300 628 F C 1.922 177.621 175.800 -0.168 0.000 1.115 628 F CA 0.249 58.177 58.000 -0.119 0.000 1.355 628 F CB 0.075 39.018 39.000 -0.095 0.000 1.026 628 F HN 0.597 nan 8.300 nan 0.000 0.536 629 G N 0.313 109.109 108.800 -0.006 0.000 2.574 629 G HA2 -0.271 4.114 3.960 0.708 0.000 0.286 629 G HA3 -0.271 4.114 3.960 0.708 0.000 0.286 629 G C -0.041 174.842 174.900 -0.029 0.000 1.212 629 G CA -0.481 44.545 45.100 -0.122 0.000 0.979 629 G HN 0.163 nan 8.290 nan 0.000 0.557 630 E N 2.833 122.952 120.200 -0.134 0.000 2.344 630 E HA 0.300 5.074 4.350 0.708 0.000 0.270 630 E C -1.652 174.959 176.600 0.018 0.000 1.021 630 E CA -0.890 55.506 56.400 -0.007 0.000 0.887 630 E CB 0.920 30.613 29.700 -0.012 0.000 0.997 630 E HN 0.393 nan 8.360 nan 0.000 0.429 631 P HA 0.081 nan 4.420 nan 0.000 0.271 631 P C -0.412 176.954 177.300 0.110 0.000 1.218 631 P CA -0.283 62.865 63.100 0.081 0.000 0.780 631 P CB 0.752 32.503 31.700 0.085 0.000 0.901 632 V N 4.144 124.139 119.914 0.136 0.000 2.311 632 V HA 0.179 4.724 4.120 0.708 0.000 0.275 632 V C 0.724 176.904 176.094 0.142 0.000 1.022 632 V CA -0.648 61.766 62.300 0.191 0.000 0.830 632 V CB 0.628 32.638 31.823 0.311 0.000 1.012 632 V HN 0.392 nan 8.190 nan 0.000 0.452 633 L N 5.494 126.784 121.223 0.112 0.000 2.453 633 L HA 0.288 5.052 4.340 0.708 0.000 0.272 633 L C 0.999 177.881 176.870 0.020 0.000 1.182 633 L CA -0.095 54.789 54.840 0.073 0.000 0.858 633 L CB 0.069 42.178 42.059 0.085 0.000 1.120 633 L HN 0.769 nan 8.230 nan 0.000 0.474 634 N N -0.049 118.666 118.700 0.025 0.000 2.741 634 N HA -0.148 5.016 4.740 0.708 0.000 0.250 634 N C 0.154 175.676 175.510 0.019 0.000 1.115 634 N CA 1.108 54.160 53.050 0.003 0.000 0.724 634 N CB -1.585 36.821 38.487 -0.135 0.000 1.090 634 N HN 0.899 nan 8.380 nan 0.000 0.558 635 T N -0.748 113.806 114.554 0.001 0.000 2.940 635 T HA 0.374 5.149 4.350 0.708 0.000 0.309 635 T C 0.143 174.814 174.700 -0.048 0.000 1.056 635 T CA -0.196 61.822 62.100 -0.137 0.000 1.137 635 T CB 0.844 69.616 68.868 -0.160 0.000 0.976 635 T HN 0.351 nan 8.240 nan 0.000 0.547 636 Y N -0.199 119.919 120.300 -0.304 0.000 2.597 636 Y HA 0.733 5.708 4.550 0.709 0.000 0.340 636 Y C -3.274 172.322 175.900 -0.506 0.000 1.097 636 Y CA -3.444 54.383 58.100 -0.455 0.000 1.037 636 Y CB 0.848 39.142 38.460 -0.276 0.000 1.305 636 Y HN 0.441 nan 8.280 nan 0.000 0.463 637 P HA 0.088 nan 4.420 nan 0.000 0.280 637 P C 0.775 177.964 177.300 -0.185 0.000 1.244 637 P CA -0.326 62.539 63.100 -0.393 0.000 0.784 637 P CB 2.213 33.691 31.700 -0.369 0.000 0.913 638 V N 0.212 120.009 119.914 -0.196 0.000 2.970 638 V HA -0.038 4.507 4.120 0.708 0.000 0.260 638 V C 0.474 176.587 176.094 0.032 0.000 1.100 638 V CA 1.281 63.548 62.300 -0.055 0.000 1.122 638 V CB -1.667 30.102 31.823 -0.090 0.000 0.721 638 V HN 0.715 nan 8.190 nan 0.000 0.483 639 N N -1.530 117.172 118.700 0.004 0.000 3.106 639 N HA 0.252 5.416 4.740 0.708 0.000 0.253 639 N C -0.291 175.229 175.510 0.017 0.000 1.506 639 N CA -0.483 52.586 53.050 0.031 0.000 0.876 639 N CB 0.812 39.319 38.487 0.034 0.000 1.452 639 N HN 0.009 nan 8.380 nan 0.000 0.542 640 E N -1.045 119.174 120.200 0.031 0.000 2.476 640 E HA 0.164 4.938 4.350 0.708 0.000 0.191 640 E C -0.069 176.543 176.600 0.020 0.000 1.064 640 E CA 0.206 56.622 56.400 0.026 0.000 0.866 640 E CB -0.382 29.337 29.700 0.032 0.000 0.952 640 E HN 0.524 nan 8.360 nan 0.000 0.492 641 N N -0.266 118.448 118.700 0.023 0.000 2.373 641 N HA 0.005 5.169 4.740 0.708 0.000 0.181 641 N C -0.128 175.405 175.510 0.038 0.000 1.082 641 N CA -0.193 52.877 53.050 0.032 0.000 0.885 641 N CB 0.742 39.250 38.487 0.035 0.000 0.977 641 N HN -0.116 nan 8.380 nan 0.000 0.462 642 V N 1.528 121.455 119.914 0.021 0.000 2.740 642 V HA 0.012 4.557 4.120 0.708 0.000 0.303 642 V C 0.555 176.660 176.094 0.018 0.000 1.054 642 V CA 0.139 62.449 62.300 0.016 0.000 1.106 642 V CB 1.218 33.024 31.823 -0.027 0.000 0.957 642 V HN 0.143 nan 8.190 nan 0.000 0.486 643 T N 6.769 121.339 114.554 0.027 0.000 2.727 643 T HA 0.451 5.226 4.350 0.708 0.000 0.298 643 T C -0.117 174.568 174.700 -0.025 0.000 0.942 643 T CA -0.210 61.898 62.100 0.012 0.000 0.997 643 T CB 0.067 68.943 68.868 0.014 0.000 0.917 643 T HN 0.349 nan 8.240 nan 0.000 0.487 644 L N 4.684 125.907 121.223 -0.000 0.000 2.290 644 L HA 0.374 5.139 4.340 0.708 0.000 0.284 644 L C 1.042 177.911 176.870 -0.001 0.000 1.078 644 L CA -0.419 54.426 54.840 0.009 0.000 0.815 644 L CB 0.909 43.008 42.059 0.067 0.000 1.162 644 L HN 0.618 nan 8.230 nan 0.000 0.435 645 L N 2.384 123.580 121.223 -0.046 0.000 2.500 645 L HA 0.265 5.030 4.340 0.708 0.000 0.219 645 L C 0.413 177.268 176.870 -0.025 0.000 1.057 645 L CA 0.226 55.022 54.840 -0.074 0.000 0.854 645 L CB 0.120 42.084 42.059 -0.159 0.000 1.078 645 L HN 0.535 nan 8.230 nan 0.000 0.480 646 R N 0.520 121.016 120.500 -0.006 0.000 2.533 646 R HA 0.626 5.391 4.340 0.708 0.000 0.288 646 R C -1.125 175.183 176.300 0.014 0.000 1.039 646 R CA -0.247 55.858 56.100 0.008 0.000 0.909 646 R CB 1.876 32.212 30.300 0.060 0.000 1.195 646 R HN -0.051 nan 8.270 nan 0.000 0.438 647 A N 2.900 125.783 122.820 0.105 0.000 3.409 647 A HA 0.307 5.052 4.320 0.708 0.000 0.282 647 A C -0.888 176.819 177.584 0.204 0.000 1.064 647 A CA -0.681 51.473 52.037 0.194 0.000 0.889 647 A CB 0.269 19.475 19.000 0.343 0.000 1.251 647 A HN 0.432 nan 8.150 nan 0.000 0.538 648 D N -0.066 120.409 120.400 0.125 0.000 2.253 648 D HA 0.519 5.584 4.640 0.708 0.000 0.249 648 D C 1.223 177.577 176.300 0.089 0.000 1.049 648 D CA 1.086 55.155 54.000 0.114 0.000 0.929 648 D CB 1.519 42.373 40.800 0.090 0.000 1.176 648 D HN 0.950 nan 8.370 nan 0.000 0.437 649 G N 0.455 109.297 108.800 0.069 0.000 2.198 649 G HA2 -0.113 4.272 3.960 0.708 0.000 0.260 649 G HA3 -0.113 4.272 3.960 0.708 0.000 0.260 649 G C 0.969 175.883 174.900 0.023 0.000 1.025 649 G CA 0.564 45.691 45.100 0.045 0.000 0.769 649 G HN 1.247 nan 8.290 nan 0.000 0.507 650 G N -1.641 107.149 108.800 -0.015 0.000 2.136 650 G HA2 0.056 4.440 3.960 0.708 0.000 0.242 650 G HA3 0.056 4.440 3.960 0.708 0.000 0.242 650 G C 0.236 175.160 174.900 0.040 0.000 0.989 650 G CA 1.513 46.552 45.100 -0.102 0.000 0.682 650 G HN 2.092 nan 8.290 nan 0.000 0.522 651 Q N -1.866 118.038 119.800 0.172 0.000 2.831 651 Q HA 0.752 5.517 4.340 0.708 0.000 0.322 651 Q C -1.319 174.849 176.000 0.281 0.000 0.923 651 Q CA -1.043 54.933 55.803 0.288 0.000 0.767 651 Q CB 1.886 30.715 28.738 0.153 0.000 1.469 651 Q HN 0.470 nan 8.270 nan 0.000 0.496 652 V N 1.436 121.449 119.914 0.165 0.000 2.417 652 V HA 0.174 4.719 4.120 0.708 0.000 0.291 652 V C -0.332 175.795 176.094 0.055 0.000 1.024 652 V CA -0.329 62.024 62.300 0.088 0.000 0.861 652 V CB 1.347 33.157 31.823 -0.023 0.000 0.985 652 V HN 0.793 nan 8.190 nan 0.000 0.436 653 Q N 3.113 122.824 119.800 -0.148 0.000 2.423 653 Q HA 0.417 5.182 4.340 0.708 0.000 0.231 653 Q C -0.293 175.354 176.000 -0.588 0.000 0.894 653 Q CA 0.324 55.785 55.803 -0.571 0.000 0.938 653 Q CB 0.793 28.730 28.738 -1.336 0.000 1.079 653 Q HN 0.563 nan 8.270 nan 0.000 0.552 654 L N -0.293 120.765 121.223 -0.274 0.000 2.526 654 L HA 0.807 5.572 4.340 0.708 0.000 0.263 654 L C -2.067 174.788 176.870 -0.024 0.000 0.943 654 L CA -0.558 54.209 54.840 -0.122 0.000 0.859 654 L CB 1.941 43.983 42.059 -0.028 0.000 1.313 654 L HN -0.029 nan 8.230 nan 0.000 0.406 655 A N 2.229 125.060 122.820 0.018 0.000 2.612 655 A HA 0.848 5.592 4.320 0.708 0.000 0.293 655 A C -1.206 176.386 177.584 0.012 0.000 1.075 655 A CA -0.200 51.841 52.037 0.007 0.000 0.680 655 A CB 1.977 21.003 19.000 0.042 0.000 1.279 655 A HN 0.669 nan 8.150 nan 0.000 0.411 656 T N 0.191 114.742 114.554 -0.006 0.000 2.909 656 T HA 0.657 5.432 4.350 0.708 0.000 0.299 656 T C -1.419 173.338 174.700 0.096 0.000 1.073 656 T CA -0.496 61.642 62.100 0.064 0.000 0.999 656 T CB 1.198 70.115 68.868 0.083 0.000 1.098 656 T HN 0.908 nan 8.240 nan 0.000 0.477 657 N N 2.491 121.267 118.700 0.126 0.000 2.371 657 N HA 0.387 5.552 4.740 0.708 0.000 0.291 657 N C -1.693 173.908 175.510 0.152 0.000 1.053 657 N CA -0.549 52.575 53.050 0.123 0.000 0.870 657 N CB 1.578 40.125 38.487 0.100 0.000 1.503 657 N HN 0.476 nan 8.380 nan 0.000 0.485 658 D N 1.702 122.192 120.400 0.150 0.000 2.350 658 D HA 0.102 5.167 4.640 0.708 0.000 0.249 658 D C -0.940 175.485 176.300 0.209 0.000 1.119 658 D CA 0.722 54.815 54.000 0.155 0.000 0.886 658 D CB 0.492 41.364 40.800 0.121 0.000 1.195 658 D HN 0.447 nan 8.370 nan 0.000 0.437 659 Y N 1.797 122.119 120.300 0.037 0.000 2.541 659 Y HA 0.401 5.377 4.550 0.710 0.000 0.350 659 Y C 0.764 176.664 175.900 -0.000 0.000 1.075 659 Y CA 0.140 58.251 58.100 0.019 0.000 1.302 659 Y CB 0.508 38.981 38.460 0.022 0.000 1.094 659 Y HN 0.653 nan 8.280 nan 0.000 0.579 660 G N 3.787 112.502 108.800 -0.141 0.000 2.556 660 G HA2 -0.382 4.002 3.960 0.708 0.000 0.283 660 G HA3 -0.382 4.002 3.960 0.708 0.000 0.283 660 G C 0.936 175.806 174.900 -0.050 0.000 1.177 660 G CA 0.595 45.620 45.100 -0.125 0.000 0.978 660 G HN 0.568 nan 8.290 nan 0.000 0.554 661 K N 1.241 121.600 120.400 -0.067 0.000 2.296 661 K HA 0.244 4.989 4.320 0.708 0.000 0.200 661 K C 1.666 178.244 176.600 -0.036 0.000 1.048 661 K CA 0.674 56.896 56.287 -0.107 0.000 0.966 661 K CB -0.026 32.387 32.500 -0.144 0.000 0.754 661 K HN 0.665 nan 8.250 nan 0.000 0.466 662 G N 0.494 109.311 108.800 0.029 0.000 2.642 662 G HA2 0.511 4.895 3.960 0.708 0.000 0.291 662 G HA3 0.511 4.895 3.960 0.708 0.000 0.291 662 G C -0.801 174.176 174.900 0.129 0.000 1.345 662 G CA -0.604 44.532 45.100 0.061 0.000 1.043 662 G HN 0.047 nan 8.290 nan 0.000 0.528 663 R N -1.787 118.751 120.500 0.064 0.000 2.698 663 R HA 0.558 5.323 4.340 0.708 0.000 0.275 663 R C -0.565 175.791 176.300 0.094 0.000 1.001 663 R CA -0.723 55.420 56.100 0.072 0.000 0.896 663 R CB 2.407 32.688 30.300 -0.032 0.000 1.218 663 R HN 0.746 nan 8.270 nan 0.000 0.462 664 G N 0.702 109.569 108.800 0.111 0.000 2.432 664 G HA2 0.603 4.987 3.960 0.708 0.000 0.331 664 G HA3 0.603 4.987 3.960 0.708 0.000 0.331 664 G C -1.224 173.757 174.900 0.135 0.000 1.170 664 G CA -0.408 44.777 45.100 0.143 0.000 0.943 664 G HN 0.260 nan 8.290 nan 0.000 0.483 665 V N 1.266 121.255 119.914 0.124 0.000 2.709 665 V HA 0.405 4.950 4.120 0.708 0.000 0.308 665 V C -1.415 174.736 176.094 0.095 0.000 1.062 665 V CA -0.840 61.518 62.300 0.095 0.000 0.901 665 V CB 1.770 33.632 31.823 0.064 0.000 1.003 665 V HN 0.753 nan 8.190 nan 0.000 0.425 666 Y N 5.614 125.904 120.300 -0.016 0.000 2.341 666 Y HA 0.786 5.762 4.550 0.710 0.000 0.337 666 Y C -0.548 175.324 175.900 -0.047 0.000 1.014 666 Y CA -0.974 57.107 58.100 -0.032 0.000 1.111 666 Y CB 1.383 39.838 38.460 -0.008 0.000 1.194 666 Y HN 0.534 nan 8.280 nan 0.000 0.462 667 I N 5.335 125.345 120.570 -0.933 0.000 2.499 667 I HA 0.195 4.790 4.170 0.708 0.000 0.288 667 I C 0.681 176.198 176.117 -0.999 0.000 1.048 667 I CA -0.577 60.307 61.300 -0.692 0.000 1.062 667 I CB 2.398 40.236 38.000 -0.271 0.000 1.238 667 I HN 0.762 nan 8.210 nan 0.000 0.426 668 S N 3.393 118.654 115.700 -0.733 0.000 2.428 668 S HA 0.204 5.099 4.470 0.708 0.000 0.230 668 S C 0.793 175.274 174.600 -0.197 0.000 1.014 668 S CA 0.518 58.502 58.200 -0.361 0.000 0.957 668 S CB 0.110 63.245 63.200 -0.109 0.000 0.784 668 S HN 0.943 nan 8.310 nan 0.000 0.499 669 G N -0.318 108.386 108.800 -0.161 0.000 2.489 669 G HA2 0.527 4.912 3.960 0.708 0.000 0.291 669 G HA3 0.527 4.912 3.960 0.708 0.000 0.291 669 G C -2.120 172.698 174.900 -0.138 0.000 1.487 669 G CA -0.807 44.144 45.100 -0.250 0.000 0.795 669 G HN 0.520 nan 8.290 nan 0.000 0.513 670 L N 1.164 122.229 121.223 -0.262 0.000 2.440 670 L HA 0.456 5.220 4.340 0.708 0.000 0.261 670 L C -2.605 174.160 176.870 -0.175 0.000 1.382 670 L CA -1.083 53.654 54.840 -0.172 0.000 0.871 670 L CB 1.990 43.981 42.059 -0.112 0.000 1.052 670 L HN 0.281 nan 8.230 nan 0.000 0.509 671 P HA -0.008 nan 4.420 nan 0.000 0.266 671 P C -1.285 176.037 177.300 0.037 0.000 1.195 671 P CA 0.235 63.314 63.100 -0.035 0.000 0.768 671 P CB 0.185 31.922 31.700 0.061 0.000 0.838 672 Y N 3.362 123.678 120.300 0.028 0.000 2.442 672 Y HA 0.344 5.326 4.550 0.719 0.000 0.330 672 Y C 0.299 176.202 175.900 0.005 0.000 1.129 672 Y CA 0.838 58.943 58.100 0.008 0.000 1.365 672 Y CB 0.258 38.733 38.460 0.027 0.000 1.233 672 Y HN 0.512 nan 8.280 nan 0.000 0.529 673 S N 3.241 118.382 115.700 -0.932 0.000 2.615 673 S HA 0.670 5.565 4.470 0.708 0.000 0.269 673 S C 0.266 174.359 174.600 -0.845 0.000 1.161 673 S CA -0.602 57.077 58.200 -0.868 0.000 0.817 673 S CB 0.877 63.855 63.200 -0.370 0.000 1.131 673 S HN 0.984 nan 8.310 nan 0.000 0.467 674 A N 1.107 123.623 122.820 -0.507 0.000 1.908 674 A HA 0.211 4.956 4.320 0.708 0.000 0.218 674 A C 2.315 179.777 177.584 -0.203 0.000 1.181 674 A CA 2.294 54.168 52.037 -0.271 0.000 0.627 674 A CB -1.657 17.258 19.000 -0.142 0.000 0.818 674 A HN 1.632 nan 8.150 nan 0.000 0.445 675 A N 0.009 122.705 122.820 -0.206 0.000 1.902 675 A HA -0.181 4.564 4.320 0.708 0.000 0.217 675 A C 1.889 179.369 177.584 -0.174 0.000 1.181 675 A CA 1.859 53.795 52.037 -0.168 0.000 0.623 675 A CB -0.561 18.338 19.000 -0.169 0.000 0.818 675 A HN 0.532 nan 8.150 nan 0.000 0.443 676 N N 0.094 118.665 118.700 -0.217 0.000 2.354 676 N HA 0.039 5.204 4.740 0.708 0.000 0.179 676 N C 1.721 177.169 175.510 -0.104 0.000 1.021 676 N CA 1.237 54.177 53.050 -0.183 0.000 0.887 676 N CB -0.421 37.944 38.487 -0.205 0.000 0.974 676 N HN 0.460 nan 8.380 nan 0.000 0.437 677 A N 0.856 123.616 122.820 -0.100 0.000 1.929 677 A HA -0.066 4.679 4.320 0.708 0.000 0.216 677 A C 2.258 179.862 177.584 0.033 0.000 1.176 677 A CA 1.222 53.273 52.037 0.022 0.000 0.628 677 A CB -0.303 18.756 19.000 0.098 0.000 0.816 677 A HN 0.134 nan 8.150 nan 0.000 0.444 678 R N -0.108 120.388 120.500 -0.006 0.000 2.081 678 R HA -0.074 4.691 4.340 0.708 0.000 0.235 678 R C 1.867 178.170 176.300 0.005 0.000 1.131 678 R CA 1.766 57.877 56.100 0.019 0.000 0.960 678 R CB -1.088 29.199 30.300 -0.021 0.000 0.856 678 R HN 0.409 nan 8.270 nan 0.000 0.436 679 L N 0.115 121.311 121.223 -0.045 0.000 1.990 679 L HA -0.130 4.635 4.340 0.708 0.000 0.213 679 L C 2.096 178.975 176.870 0.015 0.000 1.072 679 L CA 1.835 56.647 54.840 -0.046 0.000 0.755 679 L CB -0.769 41.236 42.059 -0.091 0.000 0.889 679 L HN 0.378 nan 8.230 nan 0.000 0.432 680 L N -0.224 121.013 121.223 0.023 0.000 2.042 680 L HA -0.242 4.523 4.340 0.708 0.000 0.210 680 L C 2.486 179.428 176.870 0.119 0.000 1.076 680 L CA 2.184 57.056 54.840 0.053 0.000 0.749 680 L CB -0.806 41.276 42.059 0.038 0.000 0.893 680 L HN 0.533 nan 8.230 nan 0.000 0.432 681 E N -0.695 119.604 120.200 0.165 0.000 2.058 681 E HA -0.281 4.494 4.350 0.708 0.000 0.194 681 E C 2.351 179.225 176.600 0.456 0.000 0.997 681 E CA 1.443 58.028 56.400 0.308 0.000 0.801 681 E CB -0.086 29.821 29.700 0.344 0.000 0.746 681 E HN 0.465 nan 8.360 nan 0.000 0.450 682 R N -0.152 120.528 120.500 0.300 0.000 2.081 682 R HA -0.121 4.644 4.340 0.708 0.000 0.235 682 R C 2.472 179.045 176.300 0.454 0.000 1.131 682 R CA 1.277 57.563 56.100 0.309 0.000 0.960 682 R CB -0.307 29.932 30.300 -0.102 0.000 0.856 682 R HN 0.131 nan 8.270 nan 0.000 0.436 683 V N 1.687 121.759 119.914 0.263 0.000 2.332 683 V HA -0.269 4.276 4.120 0.708 0.000 0.248 683 V C 2.300 178.531 176.094 0.228 0.000 1.055 683 V CA 1.776 64.209 62.300 0.221 0.000 1.038 683 V CB -0.401 31.484 31.823 0.104 0.000 0.651 683 V HN 0.301 nan 8.190 nan 0.000 0.450 684 L N -1.667 119.666 121.223 0.184 0.000 2.017 684 L HA -0.169 4.596 4.340 0.708 0.000 0.208 684 L C 2.415 179.311 176.870 0.044 0.000 1.073 684 L CA 1.763 56.639 54.840 0.060 0.000 0.745 684 L CB -0.680 41.356 42.059 -0.040 0.000 0.894 684 L HN 0.246 nan 8.230 nan 0.000 0.432 685 F N -1.272 118.807 119.950 0.215 0.000 2.186 685 F HA -0.236 4.716 4.527 0.708 0.000 0.299 685 F C 2.537 178.355 175.800 0.030 0.000 1.090 685 F CA 1.474 59.583 58.000 0.182 0.000 1.307 685 F CB -0.578 38.641 39.000 0.365 0.000 1.019 685 F HN -0.041 nan 8.300 nan 0.000 0.489 686 Y N 0.454 120.821 120.300 0.112 0.000 2.163 686 Y HA -0.111 4.863 4.550 0.707 0.000 0.288 686 Y C 2.358 178.165 175.900 -0.155 0.000 1.136 686 Y CA 1.251 59.254 58.100 -0.162 0.000 1.147 686 Y CB -0.616 37.837 38.460 -0.013 0.000 0.987 686 Y HN -0.038 nan 8.280 nan 0.000 0.509 687 A N -0.545 122.328 122.820 0.089 0.000 2.019 687 A HA -0.141 4.604 4.320 0.708 0.000 0.219 687 A C 2.094 179.593 177.584 -0.141 0.000 1.164 687 A CA 1.687 53.710 52.037 -0.023 0.000 0.644 687 A CB -1.067 17.983 19.000 0.083 0.000 0.805 687 A HN 0.530 nan 8.150 nan 0.000 0.449 688 S N -2.175 113.463 115.700 -0.103 0.000 2.660 688 S HA 0.132 5.027 4.470 0.708 0.000 0.227 688 S C 0.400 174.982 174.600 -0.029 0.000 0.948 688 S CA 0.185 58.343 58.200 -0.069 0.000 0.948 688 S CB -0.566 62.604 63.200 -0.050 0.000 0.779 688 S HN 0.564 nan 8.310 nan 0.000 0.487 689 H N 0.715 119.669 119.070 -0.194 0.000 2.791 689 H HA -0.142 4.839 4.556 0.708 0.000 0.302 689 H C -0.415 174.838 175.328 -0.126 0.000 1.198 689 H CA 1.056 56.972 56.048 -0.220 0.000 1.145 689 H CB -2.054 27.599 29.762 -0.183 0.000 1.385 689 H HN 0.686 nan 8.280 nan 0.000 0.409 690 N N 0.079 118.782 118.700 0.006 0.000 2.338 690 N HA 0.038 5.203 4.740 0.708 0.000 0.251 690 N C 0.949 176.567 175.510 0.180 0.000 1.199 690 N CA -0.183 52.946 53.050 0.133 0.000 0.879 690 N CB 0.535 39.144 38.487 0.204 0.000 1.159 690 N HN 0.294 nan 8.380 nan 0.000 0.514 691 E N 0.661 120.813 120.200 -0.080 0.000 2.209 691 E HA -0.234 4.541 4.350 0.708 0.000 0.196 691 E C 1.350 177.967 176.600 0.027 0.000 0.993 691 E CA 1.228 57.490 56.400 -0.231 0.000 0.819 691 E CB -0.023 29.322 29.700 -0.592 0.000 0.745 691 E HN 0.493 nan 8.360 nan 0.000 0.477 692 D N 0.582 121.005 120.400 0.038 0.000 2.269 692 D HA -0.166 4.899 4.640 0.708 0.000 0.208 692 D C 1.504 177.849 176.300 0.076 0.000 0.963 692 D CA 0.870 54.903 54.000 0.054 0.000 0.864 692 D CB -0.093 40.724 40.800 0.030 0.000 0.936 692 D HN 0.101 nan 8.370 nan 0.000 0.505 693 K N -1.184 119.301 120.400 0.141 0.000 2.379 693 K HA -0.038 4.707 4.320 0.708 0.000 0.194 693 K C 1.612 178.226 176.600 0.022 0.000 1.031 693 K CA -0.253 56.133 56.287 0.164 0.000 1.037 693 K CB -0.006 32.686 32.500 0.320 0.000 0.824 693 K HN 0.059 nan 8.250 nan 0.000 0.516 694 Y N 1.020 121.159 120.300 -0.268 0.000 2.165 694 Y HA -0.261 4.713 4.550 0.706 0.000 0.286 694 Y C 1.922 177.556 175.900 -0.442 0.000 1.155 694 Y CA 1.858 59.481 58.100 -0.796 0.000 1.164 694 Y CB -0.292 37.944 38.460 -0.374 0.000 0.978 694 Y HN 0.077 nan 8.280 nan 0.000 0.513 695 A N 1.143 123.805 122.820 -0.264 0.000 1.933 695 A HA 0.121 4.865 4.320 0.708 0.000 0.218 695 A C 1.613 178.952 177.584 -0.407 0.000 1.175 695 A CA 0.752 52.604 52.037 -0.309 0.000 0.628 695 A CB -1.539 17.390 19.000 -0.117 0.000 0.814 695 A HN 0.541 nan 8.150 nan 0.000 0.444 696 A N -1.615 120.986 122.820 -0.366 0.000 2.524 696 A HA 0.344 5.089 4.320 0.708 0.000 0.250 696 A C 0.062 177.378 177.584 -0.447 0.000 1.078 696 A CA 0.230 51.944 52.037 -0.538 0.000 0.761 696 A CB -1.241 17.504 19.000 -0.424 0.000 1.012 696 A HN 0.955 nan 8.150 nan 0.000 0.500 697 W N 0.872 121.989 121.300 -0.305 0.000 5.324 697 W HA -0.190 4.895 4.660 0.708 0.000 0.404 697 W C 0.658 177.002 176.519 -0.292 0.000 1.566 697 W CA 0.587 57.739 57.345 -0.322 0.000 0.927 697 W CB -2.089 27.215 29.460 -0.260 0.000 2.757 697 W HN 1.155 nan 8.180 nan 0.000 1.382 698 S N -1.161 114.407 115.700 -0.220 0.000 2.599 698 S HA 0.817 5.712 4.470 0.708 0.000 0.294 698 S C -0.450 174.043 174.600 -0.178 0.000 1.094 698 S CA -0.449 57.586 58.200 -0.274 0.000 0.931 698 S CB 2.267 65.125 63.200 -0.570 0.000 1.093 698 S HN 0.459 nan 8.310 nan 0.000 0.488 699 S N 0.886 116.509 115.700 -0.129 0.000 2.451 699 S HA 0.430 5.324 4.470 0.708 0.000 0.301 699 S C 1.274 175.849 174.600 -0.043 0.000 1.116 699 S CA -0.083 58.078 58.200 -0.064 0.000 1.093 699 S CB 0.883 64.052 63.200 -0.052 0.000 1.017 699 S HN 1.110 nan 8.310 nan 0.000 0.482 700 S N 4.159 119.849 115.700 -0.016 0.000 2.370 700 S HA -0.117 4.777 4.470 0.708 0.000 0.226 700 S C 0.847 175.447 174.600 -0.000 0.000 1.033 700 S CA 0.725 58.924 58.200 -0.001 0.000 1.011 700 S CB -0.679 62.524 63.200 0.005 0.000 0.852 700 S HN 0.754 nan 8.310 nan 0.000 0.457 701 N N 2.824 121.525 118.700 0.000 0.000 2.444 701 N HA 0.299 5.463 4.740 0.708 0.000 0.271 701 N C -2.380 173.123 175.510 -0.011 0.000 1.069 701 N CA -2.253 50.794 53.050 -0.005 0.000 0.965 701 N CB 1.470 39.959 38.487 0.005 0.000 1.092 701 N HN -0.030 nan 8.380 nan 0.000 0.476 702 P HA -0.028 nan 4.420 nan 0.000 0.226 702 P C 0.391 177.677 177.300 -0.023 0.000 1.153 702 P CA 0.892 63.980 63.100 -0.021 0.000 0.777 702 P CB 0.392 32.068 31.700 -0.042 0.000 0.794 703 E N -1.380 118.807 120.200 -0.023 0.000 2.482 703 E HA -0.011 4.764 4.350 0.708 0.000 0.196 703 E C 0.383 176.975 176.600 -0.014 0.000 1.047 703 E CA 0.437 56.827 56.400 -0.017 0.000 0.869 703 E CB -0.384 29.308 29.700 -0.013 0.000 0.836 703 E HN 0.283 nan 8.360 nan 0.000 0.520 704 C N 0.362 119.650 119.300 -0.020 0.000 2.667 704 C HA 0.569 5.454 4.460 0.708 0.000 0.323 704 C C 0.353 175.317 174.990 -0.043 0.000 1.214 704 C CA -0.848 58.147 59.018 -0.038 0.000 1.721 704 C CB 1.850 29.560 27.740 -0.049 0.000 2.275 704 C HN 0.177 nan 8.230 nan 0.000 0.491 705 E N -0.184 119.978 120.200 -0.063 0.000 2.416 705 E HA 0.703 5.477 4.350 0.708 0.000 0.273 705 E C -1.644 174.905 176.600 -0.085 0.000 0.935 705 E CA -0.565 55.800 56.400 -0.059 0.000 0.784 705 E CB 2.291 31.966 29.700 -0.041 0.000 1.301 705 E HN 0.383 nan 8.360 nan 0.000 0.454 706 V N 0.916 120.793 119.914 -0.061 0.000 2.604 706 V HA 0.695 5.240 4.120 0.708 0.000 0.305 706 V C -0.876 175.184 176.094 -0.056 0.000 1.043 706 V CA -0.697 61.580 62.300 -0.039 0.000 0.888 706 V CB 1.612 33.439 31.823 0.006 0.000 0.995 706 V HN 0.744 nan 8.190 nan 0.000 0.429 707 A N 3.028 125.797 122.820 -0.086 0.000 2.319 707 A HA 0.631 5.376 4.320 0.708 0.000 0.310 707 A C -0.685 176.708 177.584 -0.317 0.000 1.152 707 A CA -0.502 51.386 52.037 -0.247 0.000 0.783 707 A CB 0.532 19.388 19.000 -0.241 0.000 1.184 707 A HN 0.999 nan 8.150 nan 0.000 0.474 708 H N 2.431 121.128 119.070 -0.622 0.000 2.467 708 H HA 0.563 5.544 4.556 0.707 0.000 0.326 708 H C -1.721 173.134 175.328 -0.788 0.000 1.094 708 H CA -0.570 55.047 56.048 -0.717 0.000 1.253 708 H CB 0.661 29.706 29.762 -1.196 0.000 1.439 708 H HN 0.512 nan 8.280 nan 0.000 0.479 709 F N 7.396 127.091 119.950 -0.424 0.000 2.453 709 F HA 0.236 5.187 4.527 0.706 0.000 0.358 709 F C -1.725 173.821 175.800 -0.423 0.000 1.129 709 F CA -2.068 55.727 58.000 -0.341 0.000 1.200 709 F CB 1.405 40.367 39.000 -0.063 0.000 1.431 709 F HN 0.519 nan 8.300 nan 0.000 0.503 710 P HA -0.209 nan 4.420 nan 0.000 0.217 710 P C 1.100 178.384 177.300 -0.027 0.000 1.150 710 P CA 1.582 64.524 63.100 -0.264 0.000 0.832 710 P CB 0.180 31.810 31.700 -0.117 0.000 0.787 711 E N 0.092 120.295 120.200 0.005 0.000 2.347 711 E HA -0.154 4.621 4.350 0.708 0.000 0.196 711 E C 1.351 177.968 176.600 0.029 0.000 1.008 711 E CA 0.676 57.099 56.400 0.038 0.000 0.852 711 E CB -0.491 29.236 29.700 0.045 0.000 0.783 711 E HN 0.209 nan 8.360 nan 0.000 0.505 712 Q N 0.198 120.021 119.800 0.037 0.000 2.319 712 Q HA 0.207 4.972 4.340 0.708 0.000 0.202 712 Q C 0.855 176.878 176.000 0.038 0.000 0.896 712 Q CA 0.625 56.441 55.803 0.021 0.000 0.942 712 Q CB 1.064 29.797 28.738 -0.008 0.000 1.083 712 Q HN 0.439 nan 8.270 nan 0.000 0.510 713 G N 0.894 109.724 108.800 0.050 0.000 2.323 713 G HA2 -0.267 4.118 3.960 0.708 0.000 0.292 713 G HA3 -0.267 4.118 3.960 0.708 0.000 0.292 713 G C -0.447 174.548 174.900 0.158 0.000 1.040 713 G CA 0.358 45.505 45.100 0.078 0.000 0.942 713 G HN 0.253 nan 8.290 nan 0.000 0.506 714 L N -1.181 120.178 121.223 0.226 0.000 2.376 714 L HA 0.860 5.625 4.340 0.708 0.000 0.258 714 L C -0.044 177.125 176.870 0.497 0.000 1.013 714 L CA -1.737 53.307 54.840 0.340 0.000 0.822 714 L CB 2.212 44.481 42.059 0.351 0.000 1.388 714 L HN 0.374 nan 8.230 nan 0.000 0.413 715 Y N -0.233 120.286 120.300 0.364 0.000 2.588 715 Y HA 0.787 5.761 4.550 0.707 0.000 0.343 715 Y C -0.646 175.312 175.900 0.098 0.000 1.065 715 Y CA -1.509 56.743 58.100 0.253 0.000 1.038 715 Y CB 1.313 39.864 38.460 0.152 0.000 1.297 715 Y HN 0.713 nan 8.280 nan 0.000 0.467 716 C N 1.438 120.661 119.300 -0.128 0.000 2.848 716 C HA 0.915 5.799 4.460 0.708 0.000 0.317 716 C C -0.828 173.983 174.990 -0.299 0.000 1.260 716 C CA -1.118 57.527 59.018 -0.621 0.000 1.656 716 C CB 1.192 28.013 27.740 -1.532 0.000 2.174 716 C HN 1.098 nan 8.230 nan 0.000 0.479 717 V N 3.254 122.900 119.914 -0.447 0.000 2.531 717 V HA 0.735 5.280 4.120 0.708 0.000 0.301 717 V C -0.403 175.493 176.094 -0.331 0.000 1.034 717 V CA -0.508 61.571 62.300 -0.368 0.000 0.865 717 V CB 1.405 32.877 31.823 -0.586 0.000 0.995 717 V HN 0.999 nan 8.190 nan 0.000 0.424 718 I N 3.406 123.844 120.570 -0.221 0.000 2.493 718 I HA 0.642 5.237 4.170 0.708 0.000 0.298 718 I C -0.360 175.697 176.117 -0.100 0.000 0.998 718 I CA -0.720 60.486 61.300 -0.156 0.000 1.137 718 I CB 1.903 39.814 38.000 -0.149 0.000 1.310 718 I HN 0.544 nan 8.210 nan 0.000 0.445 719 N N 4.000 122.667 118.700 -0.056 0.000 2.406 719 N HA 0.213 5.378 4.740 0.708 0.000 0.251 719 N C -0.138 175.363 175.510 -0.016 0.000 1.069 719 N CA -0.102 52.935 53.050 -0.021 0.000 0.947 719 N CB 0.415 38.909 38.487 0.012 0.000 1.111 719 N HN 0.737 nan 8.380 nan 0.000 0.497 720 N N 0.891 119.582 118.700 -0.015 0.000 2.461 720 N HA -0.027 5.138 4.740 0.708 0.000 0.188 720 N C -0.118 175.407 175.510 0.024 0.000 1.134 720 N CA 0.174 53.221 53.050 -0.004 0.000 0.878 720 N CB 0.328 38.824 38.487 0.014 0.000 0.972 720 N HN 0.624 nan 8.380 nan 0.000 0.456 721 T N -2.228 112.342 114.554 0.026 0.000 2.926 721 T HA 0.181 4.955 4.350 0.708 0.000 0.289 721 T C 0.070 174.798 174.700 0.047 0.000 1.054 721 T CA -0.938 61.184 62.100 0.036 0.000 1.015 721 T CB 1.737 70.620 68.868 0.024 0.000 1.167 721 T HN -0.024 nan 8.240 nan 0.000 0.526 722 D N -0.110 120.320 120.400 0.050 0.000 2.370 722 D HA 0.119 5.184 4.640 0.708 0.000 0.230 722 D C 0.028 176.352 176.300 0.041 0.000 1.143 722 D CA -0.196 53.836 54.000 0.054 0.000 0.834 722 D CB 0.054 40.890 40.800 0.061 0.000 0.944 722 D HN 0.361 nan 8.370 nan 0.000 0.504 723 Q N 0.425 120.246 119.800 0.034 0.000 2.387 723 Q HA 0.441 5.206 4.340 0.708 0.000 0.273 723 Q C -2.696 173.322 176.000 0.029 0.000 1.089 723 Q CA -2.290 53.529 55.803 0.028 0.000 0.824 723 Q CB 1.608 30.358 28.738 0.021 0.000 1.367 723 Q HN 0.002 nan 8.270 nan 0.000 0.443 724 P HA 0.009 nan 4.420 nan 0.000 0.266 724 P C -0.762 176.557 177.300 0.031 0.000 1.195 724 P CA 0.360 63.480 63.100 0.033 0.000 0.768 724 P CB 0.546 32.264 31.700 0.030 0.000 0.838 725 Q N 2.176 121.999 119.800 0.039 0.000 2.271 725 Q HA 0.315 5.079 4.340 0.708 0.000 0.268 725 Q C -0.618 175.415 176.000 0.055 0.000 1.021 725 Q CA -0.569 55.256 55.803 0.036 0.000 0.802 725 Q CB 2.608 31.362 28.738 0.026 0.000 1.282 725 Q HN 0.384 nan 8.270 nan 0.000 0.431 726 K N 1.082 121.514 120.400 0.053 0.000 2.172 726 K HA 0.663 5.407 4.320 0.708 0.000 0.276 726 K C -0.180 176.465 176.600 0.075 0.000 1.013 726 K CA -0.279 56.052 56.287 0.073 0.000 0.913 726 K CB 1.618 34.149 32.500 0.052 0.000 1.055 726 K HN 0.476 nan 8.250 nan 0.000 0.461 727 T N 0.597 115.225 114.554 0.122 0.000 2.868 727 T HA 0.299 5.074 4.350 0.708 0.000 0.306 727 T C -1.335 173.471 174.700 0.177 0.000 1.224 727 T CA -0.510 61.657 62.100 0.112 0.000 1.012 727 T CB 1.711 70.624 68.868 0.074 0.000 1.221 727 T HN 0.433 nan 8.240 nan 0.000 0.499 728 T N 2.489 117.116 114.554 0.121 0.000 2.779 728 T HA 0.595 5.370 4.350 0.708 0.000 0.280 728 T C -0.496 174.271 174.700 0.110 0.000 0.987 728 T CA -0.432 61.746 62.100 0.129 0.000 0.966 728 T CB 1.153 70.051 68.868 0.051 0.000 0.933 728 T HN 0.458 nan 8.240 nan 0.000 0.442 729 V N 3.897 123.926 119.914 0.193 0.000 2.439 729 V HA 0.403 4.947 4.120 0.708 0.000 0.282 729 V C 0.504 176.567 176.094 -0.052 0.000 1.039 729 V CA -0.611 61.733 62.300 0.074 0.000 0.913 729 V CB 1.665 33.600 31.823 0.187 0.000 0.983 729 V HN 0.931 nan 8.190 nan 0.000 0.460 730 T N 6.575 121.016 114.554 -0.188 0.000 2.767 730 T HA 0.612 5.387 4.350 0.708 0.000 0.284 730 T C -0.166 174.196 174.700 -0.564 0.000 0.973 730 T CA -0.274 61.651 62.100 -0.291 0.000 0.996 730 T CB 0.952 69.665 68.868 -0.258 0.000 0.927 730 T HN 0.237 nan 8.240 nan 0.000 0.456 731 L N 1.859 122.690 121.223 -0.654 0.000 2.448 731 L HA 0.552 5.317 4.340 0.708 0.000 0.258 731 L C 1.934 178.113 176.870 -1.152 0.000 1.104 731 L CA -0.251 53.862 54.840 -1.211 0.000 0.800 731 L CB -0.044 41.575 42.059 -0.734 0.000 1.241 731 L HN 0.716 nan 8.230 nan 0.000 0.472 732 A N 0.150 122.137 122.820 -1.389 0.000 1.978 732 A HA -0.192 4.552 4.320 0.708 0.000 0.220 732 A C 1.490 178.887 177.584 -0.311 0.000 1.170 732 A CA 1.744 53.385 52.037 -0.659 0.000 0.636 732 A CB -0.944 17.970 19.000 -0.144 0.000 0.810 732 A HN 0.917 nan 8.150 nan 0.000 0.448 733 D N -2.408 117.845 120.400 -0.245 0.000 2.363 733 D HA 0.272 5.337 4.640 0.708 0.000 0.226 733 D C 1.241 177.460 176.300 -0.135 0.000 1.020 733 D CA 1.045 54.970 54.000 -0.125 0.000 0.892 733 D CB -0.503 40.264 40.800 -0.054 0.000 0.900 733 D HN 0.772 nan 8.370 nan 0.000 0.531 734 G N -0.039 108.638 108.800 -0.204 0.000 2.217 734 G HA2 -0.297 4.088 3.960 0.708 0.000 0.246 734 G HA3 -0.297 4.088 3.960 0.708 0.000 0.246 734 G C 0.620 175.439 174.900 -0.135 0.000 0.990 734 G CA 0.531 45.535 45.100 -0.160 0.000 0.627 734 G HN 0.818 nan 8.290 nan 0.000 0.522 735 T N -0.267 114.209 114.554 -0.129 0.000 2.802 735 T HA 0.572 5.346 4.350 0.708 0.000 0.305 735 T C 0.464 175.096 174.700 -0.113 0.000 1.053 735 T CA 1.132 63.177 62.100 -0.092 0.000 1.058 735 T CB 1.633 70.469 68.868 -0.054 0.000 0.988 735 T HN 1.622 nan 8.240 nan 0.000 0.539 736 T N -1.575 112.941 114.554 -0.064 0.000 2.883 736 T HA 0.682 5.456 4.350 0.708 0.000 0.296 736 T C -1.166 173.535 174.700 0.003 0.000 1.117 736 T CA -1.002 61.072 62.100 -0.044 0.000 1.006 736 T CB 2.229 71.073 68.868 -0.039 0.000 1.191 736 T HN 0.967 nan 8.240 nan 0.000 0.508 737 E N 0.107 120.341 120.200 0.057 0.000 2.340 737 E HA 0.478 5.253 4.350 0.708 0.000 0.273 737 E C -1.694 174.882 176.600 -0.039 0.000 0.891 737 E CA -0.732 55.658 56.400 -0.016 0.000 0.757 737 E CB 1.776 31.473 29.700 -0.006 0.000 1.231 737 E HN 0.642 nan 8.360 nan 0.000 0.439 738 D N 2.135 122.407 120.400 -0.213 0.000 2.163 738 D HA 0.416 5.480 4.640 0.708 0.000 0.248 738 D C -1.103 174.985 176.300 -0.353 0.000 1.035 738 D CA 0.030 53.962 54.000 -0.113 0.000 0.872 738 D CB 0.808 41.568 40.800 -0.067 0.000 1.183 738 D HN 0.229 nan 8.370 nan 0.000 0.445 739 F N 0.353 120.327 119.950 0.040 0.000 2.577 739 F HA 0.293 5.246 4.527 0.710 0.000 0.318 739 F C 0.135 175.952 175.800 0.029 0.000 1.065 739 F CA -0.928 57.096 58.000 0.040 0.000 0.929 739 F CB 1.934 40.962 39.000 0.048 0.000 1.237 739 F HN -0.010 nan 8.300 nan 0.000 0.468 740 D N 3.076 123.601 120.400 0.208 0.000 2.440 740 D HA 0.379 5.444 4.640 0.708 0.000 0.252 740 D C -1.246 175.136 176.300 0.136 0.000 1.180 740 D CA -0.125 53.956 54.000 0.135 0.000 0.894 740 D CB 0.874 41.721 40.800 0.078 0.000 1.111 740 D HN 0.386 nan 8.370 nan 0.000 0.544 741 L N 5.145 126.441 121.223 0.121 0.000 2.289 741 L HA 0.485 5.250 4.340 0.708 0.000 0.285 741 L C -1.760 175.153 176.870 0.071 0.000 1.049 741 L CA -1.590 53.309 54.840 0.097 0.000 0.804 741 L CB 1.608 43.706 42.059 0.065 0.000 1.195 741 L HN 0.222 nan 8.230 nan 0.000 0.428 742 P HA -0.011 nan 4.420 nan 0.000 0.277 742 P C -0.788 176.543 177.300 0.052 0.000 1.276 742 P CA -0.514 62.618 63.100 0.053 0.000 0.788 742 P CB 0.429 32.158 31.700 0.048 0.000 1.114 743 D N 0.123 120.549 120.400 0.042 0.000 2.923 743 D HA -0.139 4.926 4.640 0.708 0.000 0.220 743 D C 0.047 176.389 176.300 0.070 0.000 1.099 743 D CA 1.246 55.275 54.000 0.048 0.000 0.807 743 D CB -0.636 40.186 40.800 0.036 0.000 1.155 743 D HN 0.356 nan 8.370 nan 0.000 0.524 744 S N 1.014 116.766 115.700 0.087 0.000 3.358 744 S HA -0.155 4.740 4.470 0.708 0.000 0.309 744 S C 0.882 175.579 174.600 0.162 0.000 1.247 744 S CA 0.678 58.959 58.200 0.134 0.000 0.961 744 S CB -1.866 61.461 63.200 0.212 0.000 1.074 744 S HN 0.921 nan 8.310 nan 0.000 0.625 745 G N 0.155 109.022 108.800 0.112 0.000 2.636 745 G HA2 0.551 4.935 3.960 0.708 0.000 0.246 745 G HA3 0.551 4.935 3.960 0.708 0.000 0.246 745 G C -0.348 174.601 174.900 0.080 0.000 1.216 745 G CA -0.161 45.013 45.100 0.122 0.000 0.854 745 G HN 0.606 nan 8.290 nan 0.000 0.572 746 I N -0.287 120.334 120.570 0.085 0.000 2.769 746 I HA 0.715 5.310 4.170 0.708 0.000 0.298 746 I C -0.556 175.535 176.117 -0.044 0.000 1.128 746 I CA -1.067 60.212 61.300 -0.036 0.000 1.031 746 I CB 2.170 40.173 38.000 0.005 0.000 1.235 746 I HN 0.721 nan 8.210 nan 0.000 0.423 747 A N 5.543 128.231 122.820 -0.221 0.000 2.422 747 A HA 0.699 5.443 4.320 0.708 0.000 0.302 747 A C -2.294 175.104 177.584 -0.309 0.000 1.041 747 A CA -0.345 51.636 52.037 -0.094 0.000 0.708 747 A CB 0.841 19.880 19.000 0.064 0.000 1.257 747 A HN 0.712 nan 8.150 nan 0.000 0.414 748 W N 1.873 123.157 121.300 -0.027 0.000 2.573 748 W HA 0.757 5.841 4.660 0.707 0.000 0.326 748 W C 0.315 176.754 176.519 -0.134 0.000 1.049 748 W CA -0.265 57.016 57.345 -0.107 0.000 1.220 748 W CB 1.650 31.074 29.460 -0.060 0.000 1.373 748 W HN 0.537 nan 8.180 nan 0.000 0.507 749 R N 1.368 121.801 120.500 -0.113 0.000 2.771 749 R HA 0.241 5.005 4.340 0.708 0.000 0.274 749 R C -0.440 175.853 176.300 -0.012 0.000 0.987 749 R CA -1.238 54.793 56.100 -0.114 0.000 0.908 749 R CB 1.833 31.991 30.300 -0.236 0.000 1.213 749 R HN 0.778 nan 8.270 nan 0.000 0.468 750 E N 0.995 121.264 120.200 0.114 0.000 2.390 750 E HA 0.572 5.347 4.350 0.708 0.000 0.261 750 E C -0.834 175.947 176.600 0.301 0.000 1.076 750 E CA -0.584 55.920 56.400 0.173 0.000 0.905 750 E CB 1.138 30.914 29.700 0.126 0.000 0.984 750 E HN 0.582 nan 8.360 nan 0.000 0.427 751 A N 3.199 126.206 122.820 0.312 0.000 2.530 751 A HA 0.467 5.211 4.320 0.708 0.000 0.288 751 A C -0.650 177.058 177.584 0.207 0.000 1.172 751 A CA -1.062 51.200 52.037 0.375 0.000 0.733 751 A CB 0.883 20.210 19.000 0.546 0.000 1.320 751 A HN 0.649 nan 8.150 nan 0.000 0.419 752 L N 1.148 122.470 121.223 0.165 0.000 2.525 752 L HA 0.132 4.897 4.340 0.708 0.000 0.278 752 L C 0.734 177.477 176.870 -0.213 0.000 1.218 752 L CA 0.350 55.166 54.840 -0.039 0.000 0.878 752 L CB 0.334 42.335 42.059 -0.098 0.000 1.127 752 L HN 0.827 nan 8.230 nan 0.000 0.492 753 E N 3.676 123.769 120.200 -0.177 0.000 2.115 753 E HA 0.176 4.950 4.350 0.708 0.000 0.282 753 E C -0.682 175.818 176.600 -0.166 0.000 0.987 753 E CA -0.637 55.683 56.400 -0.133 0.000 0.797 753 E CB 0.565 30.249 29.700 -0.027 0.000 1.086 753 E HN 0.458 nan 8.360 nan 0.000 0.397 754 H N 0.000 119.118 119.070 0.080 0.000 2.539 754 H HA 0.000 4.980 4.556 0.707 0.000 0.296 754 H CA 0.000 56.091 56.048 0.072 0.000 1.023 754 H CB 0.000 29.812 29.762 0.083 0.000 1.292 754 H HN 0.000 nan 8.280 nan 0.000 0.496